C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)

sehlahisoa

C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)

Lintlha tsa Motheo:


Lintlha tsa Sehlahisoa

Li-tag tsa Sehlahisoa

Tlhaloso ea Lintho

Nomoro ea Registry ea CAS

199593-09-4

Lintho Tsa Bohlokoa Tsa 'Mele Boleng Boemo
Boima ba Molek'hule 801.87 -
pKa (E boletsoeng esale pele) 10.18±0,20 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C

Mabitso a Mang le Litlhahiso

Canonical POSISO

N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 =CC=C(OC)C=C5)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](OC)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5

InChi

InChI= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46- 25-23-37(44-30(5)48)45-41(46)49)27-53 -42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35( 51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,( H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1

Senotlolo sa InChi

WNWUMIPFLOKTEZ-UAQIPLLRSA-N

1 Lebitso le Leng la Ntho ena

Cytidine,Nacetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Lipinski
Sebopeho se Amanang

Likokoana-hloko

Thepa Boleng Boemo Mohloli
Bioconcentration Factor 4.77 pH 1; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 50.1 pH 2; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 2190 pH 3; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 21700 pH 4; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 35700 pH 5; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 37800 pH 6; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 37900 pH 7; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 37300 pH 8; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 31400 pH 9; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 12300 pH 10; Mocheso: 25 °C (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lik'hemik'hale

Mohloli oa Boemo ba Boleng ba Thepa
Koc 8.29 pH 1; Mocheso: 25 °C (1) ACD
Koc 87.1 pH 2; Mocheso: 25 °C (1) ACD
Koc 3800 pH 3; Mocheso: 25 °C (1) ACD
Koc 37700 pH 4; Mocheso: 25 °C (1) ACD
Koc 62000 pH 5; Mocheso: 25 °C (1) ACD
Koc 65700 pH 6; Mocheso: 25 °C (1) ACD
Koc 65900 pH 7; Mocheso: 25 °C (1) ACD
Koc 64700 pH 8; Mocheso: 25 °C (1) ACD
Koc 54500 pH 9; Mocheso: 25 °C (1) ACD
Koc 21400 pH 10; Mocheso: 25 °C (1) ACD
logD 2.43 pH 1; Mocheso: 25 °C (1) ACD
logD 3.45 pH 2; Mocheso: 25 °C (1) ACD
logD 5.09 pH 3; Mocheso: 25 °C (1) ACD

 

Thepa Boleng Boemo Mohloli
logD 6.09 pH 4; Mocheso: 25 °C (1) ACD
logD 6.30 pH 5; Mocheso: 25 °C (1) ACD
logD 6.33 pH 6; Mocheso: 25 °C (1) ACD
logD 6.33 pH 7; Mocheso: 25 °C (1) ACD
logD 6.32 pH 8; Mocheso: 25 °C (1) ACD
logD 6.25 pH 9; Mocheso: 25 °C (1) ACD
logD 5.84 pH 10; Mocheso: 25 °C (1) ACD
logP 6.329±0.771 Mocheso: 25 °C (1) ACD
Mass Intrinsic Sollubility 1.8 x 10-4 g/L Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.4 g/L pH 1; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 0.14 g/L pH 2; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 x 10-3 g/L pH 3; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.2 x 10-4 g/L pH 4; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.9 x 10-4 g/L pH 5; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.8 x 10-4 g/L pH 6; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.8 x 10-4 g/L pH 7; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.8 x 10-4 g/L pH 8; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 2.2 x 10-4 g/L pH 9; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 5.6 x 10-4 g/L pH 10; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.8 x 10-4 g/L Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C (1) ACD
Molar Intrinsic Solubility 2.3 x 10-7 mol/L Mocheso: 25 °C (1) ACD
Molar Solubility 1.8 x 10-3 mol/L pH 1; Mocheso: 25 °C (1) ACD
Molar Solubility 1.7 x 10-4 mol/L pH 2; Mocheso: 25 °C (1) ACD
Molar Solubility 3.9 x 10-6 mol/L pH 3; Mocheso: 25 °C (1) ACD
Molar Solubility 4.0 x 10-7 mol/L pH 4; Mocheso: 25 °C (1) ACD
Molar Solubility 2.4 x 10-7 mol/L pH 5; Mocheso: 25 °C (1) ACD
Molar Solubility 2.3 x 10-7 mol/L pH 6; Mocheso: 25 °C (1) ACD
Molar Solubility 2.3 x 10-7 mol/L pH 7; Mocheso: 25 °C (1) ACD
Molar Solubility 2.3 x 10-7 mol/L pH 8; Mocheso: 25 °C (1) ACD
Molar Solubility 2.8 x 10-7 mol/L pH 9; Mocheso: 25 °C (1) ACD
Molar Solubility 7.0 x 10-7 mol/L pH 10; Mocheso: 25 °C (1) ACD
Molar Solubility 2.3 x 10-7 mol/L Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C (1) ACD

 

Thepa Boleng Boemo Mohloli
Boima ba Molek'hule 801.87    
pKa 10.18±0,20 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C (1) ACD
pKa 3.57±0,20 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)

Lipinski

Thepa Boleng Boemo Mohloli
Li-Bonds tse ka fetolehang ka bolokolohi 18   (1) ACD
H Ba amohelang 14   (1) ACD
H Bafani 1   (1) ACD
H Kakaretso ea Mofani/Moamoheli 15   (1) ACD
logP 6.329±0.771 Mocheso: 25 °C (1) ACD
Boima ba Molek'hule 801.87    

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Sebopeho se Amanang

Thepa Boleng Mohloli oa Boemo
Sebaka sa Polar Surface 167 A2 (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra e boletsoeng esale pele

Spectra e fumaneha
1H NMR
13C NMR


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