![C31H30N2O7 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-7,R9S (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 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-7,R9S (9CI, ACI) Sawirka sifaysan](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 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-7,R9S (9CI, ACI)
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 542.58 | - |
| Barta karkarinta (La saadaaliyay) | 692.9± 65.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.33±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 12.51± 0.60 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1N=C2OC3C(O)C(OC3N2C=C1C)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=C(C)C(=O)N3
InChi
InChi=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
Furaha InChi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Magaca kale ee walaxdan
(2R,3R,3aS,9aR)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]-pyonerimidin-6
Spectra waa la heli karaa
1H NMR
13C NMR
Mass
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| Kulul |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 2800 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2800 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2790 | 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 | 10200 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 10200 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 10200 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 4.84 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 4.839±0.618 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 3.6 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-4 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 6.6 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.7 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 542.58 | ||
| pKa | 12.51± 0.60 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -4.38±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 3.73 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 | 1.33±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 404.9 ± 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 | |
| H Aqbalayaasha | 9 | (1) ACD | |
| H Deeq-bixiyayaasha | 1 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 10 | (1) ACD | |
| logP | 4.839±0.618 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 542.58 |
(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)
Kulul
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 692.9± 65.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 106.61± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 372.8± 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
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