C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Substantia detail

Cas Subcriptio Number

144089-97-4

Key physica proprietatibus	Valor	Conditio
Pondus	857,91	-
Pka (praedicta)	9.16 ± 0.20	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C(=O)N=C(NC(=O)C(C)C)NC65)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](F)[C@@H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C = C4), (C5 = c = c (c) c = C5) C6 cc = cc = C6 =

INCHI

Inchi = 1s / C44H53FN7O8P / C1-27 (II) XL (LIII) 49-43-48-39-37 (XLI (LIV) 50-43) 47-26-51 (XXXIX) 42-36 (XLV) LII ((III) IV) LII ((XXVIII) IV), LII (XXVIII (III) VI) XXXV (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32 / H9-11,13-22,26-29,35-36,38,42h, XII, 24-25H2,1-8H3, (H2,48,49,5,53,54) / T35-, 36-, 38-, 42-, LXI? / M1 / S1

Key Inchi

Kjfumxzzvymqeu, aocjbpqjsa, n

I aliud nomen huius substantiae

Guanosine, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-Doxy-II' -fluoro-N- (II-methyl-I-oxopropyl) -, III '- [II -yyl cyanoethyl bis (I-methyl ethyl) phosphoramidite] (9CI)

Praedixit possessiones

Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	CCXCVIII	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(VI) CCCL	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(V7800	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.76 x CV	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.21 X CV	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.26 x CV	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.24 x CV	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.03 x CV	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.04 x CV	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XIX) CCC	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Property valorem condicionem fontem

Koc CCCXII PH I; Temp: XXV ° C (I) ACD

Koc (VI) DCXXX PH II; Temp: XXV ° C (I) ACD

Koc (LX) CD Ph III; Temp: XXV ° C (I) ACD

Koc 1.84 X CV PH IV; Temp: XXV ° C (I) ACD

Koc 2.31 X CV PH V; Temp: XXV ° C (I) ACD

Koc 2.37 X CV PH VI; Temp: XXV ° C (I) ACD

Koc 2.35 X CV PH VII; Temp: XXV ° C (I) ACD

Koc 2.12 X CV PH VIII; Temp: XXV ° C (I) ACD

Koc 1.08 X CV PH IX; Temp: XXV ° C (I) ACD

Koc (XX) CC pH X; Temp: XXV ° C (I) ACD

Logd 4.47 PH I; Temp: XXV ° C (I) ACD

Langel 5.80 PH II; Temp: XXV ° C (I) ACD

Res	Valor	Conditio	Fons
logd	6.76	PH III; Temp: XXV ° C	(I) ACD
logd	7.24	PH IV; Temp: XXV ° C	(I) ACD
logd	7.34	PH V; Temp: XXV ° C	(I) ACD
logd	7.35	Ph VI; Temp: XXV ° C	(I) ACD
logd	7.35	PH VII; Temp: XXV ° C	(I) ACD
logd	7.30	PH VIII; Temp: XXV ° C	(I) ACD
logd	7.01	PH IX; Temp: XXV ° C	(I) ACD
logd	6,28	PH X; Temp: XXV ° C	(I) ACD
logp	7,351 ± 0.713	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	X 10-5 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	0.022 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-3 g / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-4 G / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	10-5 X g / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-5 G / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-5 g / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-5 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	10-5 X 10-5 g / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	10-5 10-5 G / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-4 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-5 g / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	X 10-8 Mol 3.5 / l	Temp: XXV ° C	(I) ACD
Molaris solubility	2.6 X 10-5 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	1.2 x 10-6 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-7 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	4.5 x 10-8 Mol / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	3,6 x 10-8 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-8 Mol 3.5 / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-8 Mol 3.5 / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	3,9 X 10-8 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	7.6 x 10-8 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	4.1 x 10-7 Mol / l	PH X; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	X 10-8 Mol 3.5 / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Pondus	857,91
PKA	9.16 ± 0.20	Most Acidic Temp: XXV ° C	(I) ACD
PKA	3.45 ± 0.70	Maxime basic temp: XXV °	(I) ACD

Structuram related

Res	Valor	Source
Polar superficies regio	CLXXXIV A2	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	18		(I) ACD
H acceptors	15		(I) ACD
H donos	2		(I) ACD
H donator / Acceptor Sum	17		(I) ACD
logp	7,351 ± 0.713	Temp: XXV ° C	(I) ACD
Pondus	857,91