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

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Substantia detail

Cas Subcriptio Number

199593-09-4

Key physica proprietatibus	Valor	Conditio
Pondus	801,87	-
Pka (praedicta)	10.18 ± 0.20	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet

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 smiles

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 (c) c4) C5 cc = c5 = 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 / H9-11,13-23,28-29,36,38-40h, 12,26-27H2,1-8H3 ( II, 44,45,48,49) / T36-, 38-, 39-, 40-, LVII? / M1 / S1

Key Inchi

Wnwumipfloktez, uaqiplrsa, n

I aliud nomen huius substantiae

Cytidine,N-acetyl, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O-methyl-, III '- [II-cyanoethyl bis (I-methylethyl) phosphoramidite] (9CI)

Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	4.77	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	50.1	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	MMCXC	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXI) DCC	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXV) DCC	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXVII) DCCC	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXVII) CM	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXVII) CCC	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXI) CD	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XII) CCC	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Property valorem condicionem fontem

Koc 8.29 PH I; Temp: XXV ° C (I) ACD

Koc 87,1 PH II; Temp: XXV ° C (I) ACD

Koc MMMDCCC ph III; Temp: XXV ° C (I) ACD

Koc (XXXVII) DCC PH IV; Temp: XXV ° C (I) ACD

Koc (LXII) pH V; Temp: XXV ° C (I) ACD

Koc (LXV) DCC ph VI; Temp: XXV ° C (I) ACD

Koc (LXV) CM ph VII; Temp: XXV ° C (I) ACD

Koc (LXIV) DCC PH VIII; Temp: XXV ° C (I) ACD

Koc (LIV) D PH IX; Temp: XXV ° C (I) ACD

Koc (XXI) CD PH X; Temp: XXV ° C (I) ACD

Logd 2.43 PH I; Temp: XXV ° C (I) ACD

Langel 3.45 PH II; Temp: XXV ° C (I) ACD

Langel 5 5,09 PH III; Temp: XXV ° C (I) ACD

Res	Valor	Conditio	Fons
logd	6.09	PH IV; Temp: XXV ° C	(I) ACD
logd	6,30	PH V; Temp: XXV ° C	(I) ACD
logd	6,33	Ph VI; Temp: XXV ° C	(I) ACD
logd	6,33	PH VII; Temp: XXV ° C	(I) ACD
logd	6,32	PH VIII; Temp: XXV ° C	(I) ACD
logd	6,25	PH IX; Temp: XXV ° C	(I) ACD
logd	5.84	PH X; Temp: XXV ° C	(I) ACD
logp	6,329 ± 0.771	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	10-4 X 10-4 G / l	Temp: XXV ° C	(I) ACD
Missam solubility	1.4 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	0,14 G / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	10-3 X 10-3 G / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-4 G / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	10-4 X 10-4 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	10-4 X 10-4 G / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	10-4 X 10-4 G / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	10-4 X 10-4 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-4 G / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	5.6 x 10-4 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	10-4 X 10-4 G / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	2.3 x 10-7 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	1.8 X 10-3 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	1.7 X 10-4 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	3,9 x 10-6 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	4.0 X 10-7 Mol / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	2.4 x 10-7 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	2.3 x 10-7 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	2.3 x 10-7 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.3 x 10-7 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.8 x 10-7 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	7.0 X 10-7 Mol / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	2.3 x 10-7 Mol / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Pondus	801,87
PKA	10.18 ± 0.20	Most Acidic Temp: XXV ° C	(I) ACD
PKA	3.57 ± 0.20	Maxime basic temp: XXV °	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	18		(I) ACD
H acceptors	14		(I) ACD
H donos	1		(I) ACD
H donator / Acceptor Sum	15		(I) ACD
logp	6,329 ± 0.771	Temp: XXV ° C	(I) ACD
Pondus	801,87