C43H55N4O10P Uridine, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O- (2-methox yethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-) methylethyl) fosfoor amiite] (ACI)
Lambarka Diiwaanka CAS
163878-63-5
H302
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 818.89 | - |
pKa (La saadaaliyay) | 9.55±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C
Dhoola-caddeyn
C (OC[C@@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5= CC=CC=C5
InChi
InChi= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15) -19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Furaha InChi
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Magacyo kale oo Walaxdan ah
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-(2-methoxyethyl)- 5-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) fosfoor
amiite] (9CI); 10: PN: US20030212017 PAGE: 18 sheegtay RNA; 11: PN: US20030211606 PAGE: 18 sheegtay RNA; 13: PN: US20040
005569 PAGE: 21 sheegtay RNA; 13: PN: US20040006030 PAGE: 22 sheegtay RNA; 13: PN: US20040014048 PAGE: 19 sheegtay RNA; 13: PN: US20040014049 PAGE: 19 sheegtay RNA; 14: PN: US20030198965 PAGE: 19 sheegtay RNA; 14: PN: US20040005565 PAGE: 17- 22 sheegtay RNA; 14: PN: US20040005570 PAGE: 19 sheegtay RNA; 14: PN: US20040014047 PAGE: 19 sheegtay RNA; 14: PN: US20040
014699 PAGE: 19 sheegtay RNA; 15: PN: US20040014050 PAGE: 19 sheegtay RNA; 15: PN: US20040014051 PAGE: 21 sheegtay RNA; 15:
PN: WO03106645 PAGE: 69 sheegtay RNA; 16: PN: US20040006029 PAGE: 22 sheegtay RNA; 87: PN: US20040005707 PAGE: 19 sheegtay RNA
Spectra waa la heli karaa
1 H NMR
13 C NMR
Hetero NMR
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 348 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2810 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 21100 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 63100 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 78800 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 80800 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 80800 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 78800 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 63400 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 21800 | 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)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 487 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 1.10 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 6.761± 0.669 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 2.0 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.046 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.7 x 10-3 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 7.6 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.5 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.5 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 7.4 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-4 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 2.4 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.6 x 10-5 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 7.0 x 10-6 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 9.3 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 9.0 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 818.89 | ||
pKa | 9.55±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.45 ± 0.70 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 21 | (1) ACD | |
H Aqbalayaasha | 14 | (1) ACD | |
H Deeq-bixiyayaasha | 1 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 15 | (1) ACD | |
logP | 6.761± 0.669 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 818.89 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 164 A2 | (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
1 H NMR
13 C NMR
Isha Bayaanka Khatarta Koodhka | |
H302 Waxyeelo ayay leedahay haddii la liqo | Kala soocidda & calaamadaynta Wakaaladda Kiimikada Yurub (ECHA). Inventory - Kala soocida la ogeysiiyay iyo calaamadaynta - ogeysiisyada ugu caansan, Wakaaladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala saarid la ogeysiiyay iyo calaamadeynta - ogeysiisyada ugu daran |