C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )
Nomoro ea Registry ea CAS
146954-75-8
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 748.78 | - |
pKa (E boletsoeng esale pele) | 9.39±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Canonical POSISO
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)N(C(C)C)C(C)C
Isomeric SOSOA
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC =C5
InChi
InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23- 21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Senotlolo sa InChi
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Lebitso le Leng la Ntho ena
Uridine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Lipinski
Sebopeho se Amanang
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 457 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 3690 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 27700 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 82900 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.04 x 105 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.06 x 105 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.06 x 105 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.02 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 76200 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 22000 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mohloli oa Boemo ba Boleng ba Thepa |
Koc 592 pH 1; Mocheso: 25 °C (1) ACD |
Koc 4790 pH 2; Mocheso: 25 °C (1) ACD |
Koc 36000 pH 3; Mocheso: 25 °C (1) ACD |
Koc 1.07 x 105 pH 4; Mocheso: 25 °C (1) ACD |
Koc 1.34 x 105 pH 5; Mocheso: 25 °C (1) ACD |
Koc 1.38 x 105 pH 6; Mocheso: 25 °C (1) ACD |
Koc 1.37 x 105 pH 7; Mocheso: 25 °C (1) ACD |
Koc 1.33 x 105 pH 8; Mocheso: 25 °C (1) ACD |
Koc 98800 pH 9; Mocheso: 25 °C (1) ACD |
Koc 28600 pH 10; Mocheso: 25 °C (1) ACD |
logD 4.55 pH 1; Mocheso: 25 °C (1) ACD |
logD 5.46 pH 2; Mocheso: 25 °C (1) ACD |
logD 6.33 pH 3; Mocheso: 25 °C (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logD | 6.81 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 6.91 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 6.92 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | 6.92 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | 6.90 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | 6.77 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | 6.23 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 6.918±0.641 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 2.2 x 10-5 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 5.1 x 10-3 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 6.3 x 10-4 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 8.2 x 10-5 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.8 x 10-5 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.2 x 10-5 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.2 x 10-5 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.2 x 10-5 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.2 x 10-5 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.0 x 10-5 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.0 x 10-4 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.2 x 10-5 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 2.9 x 10-8 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.8 x 10-6 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-7 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.1 x 10-7 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.7 x 10-8 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.0 x 10-8 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-8 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-8 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.0 x 10-8 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.0 x 10-8 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-7 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-8 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Boima ba Molek'hule | 748.78 | ||
pKa | 9.39±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | 3.45±0,70 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 17 | (1) ACD | |
H Ba amohelang | 12 | (1) ACD | |
H Bafani | 1 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 13 | (1) ACD | |
logP | 6.918±0.641 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 748.78 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Mohloli oa Boemo |
Sebaka sa Polar Surface | 145 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)