![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Sawirka](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 528.55 | - |
| Meesha dhalaalaysa (Tijaabo) | 129.5-130 °C | - |
| Barta karkarinta (La saadaaliyay) | 688.2± 65.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.35±0.1 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr |
| pKa (La saadaaliyay) | 12.51± 0.40 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C (OC[C@H]1O[C@@]2([C@]([C@@H] 1O)(OC=3N2C=CC(=O)N3)[H])[H] (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Furaha InChi
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Magacyo kale oo Walaxdan ah
(2R,3R,3aS,9aR)-2-[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-hal (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R- (2α,3β,3aβ,9aβ)]- (ZCI)
| Guryaha la heli karo |
| kulaylka |
kulaylka
| Hanti | Qiimaha | Xaalad | Xigasho |
| Meesha dhalaalaysa | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
| Spectra waa la heli karaa |
| 1H NMR |
| 13C NMR |
| IR |
| Mass |
Guryaha la saadaaliyay
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| kulaylka |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1360 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1360 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1360 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1350 | pH 10;Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 6080 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Heerkulka: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logP | 4.424± 0.618 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 5.8 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-4 g/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.1 x 10-6 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 528.55 | ||
| pKa | 12.51± 0.40 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 6.91 x 10-20 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.35±0.1 g/cm3 | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
| Mugga Molar | 389.8± 7.0 cm3 / mol | Heerkulka: 20 °C;Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 9 | (1) ACD | |
| Hanti | Qiimaha | Xaalad | Xigasho |
| H Aqbalayaasha | 9 | (1) ACD | |
| H Deeq-bixiyayaasha | 1 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 10 | (1) ACD | |
| logP | 4.424± 0.618 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 528.55 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 99.1 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
kulaylka
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 688.2± 65.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 105.96± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 370.0± 34.3 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O- methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosphoramide] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidine, α-oxo- α -[(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]-N- (2-methyl-1-oxopropyl) - (9CI, ACI). )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)