C44H49N5O7SI Adenosine, N-Benzoyl, 5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'- o - [(1,1 -2'- O - [(1,1, Dimethylethyl) Dimethylls] - (9CI, ACI) Featured Image

C44H49N5O7SI Adenosine, N-Benzoyl, 5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'- o - [(1,1 -2'- o - [(1,1, Dimethylethyl) Dimethyll] - (9CI, ACI)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Physica proprietatibus

Key physica proprietatibus	Valor	Conditio
Pondus	787.98	-
Density (praedicta)	1.23 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	7.87 ± 0.43	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica ridet
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
Isomeric smiles
C (O [C @ h] 1o [C @ h] ([c @ h] (o [c) (c2) = c2 (n C (o) c4 cc = c4 = c4) n = cn3), (c5 = c (c = C5) C6 = c (c = c7 = c (c7 = c7 = c
INCHI
Inchi = 1s / C44H49N5O7SI / C1-43 (2-30) LVII (6,7) 56-38-37 (L) XXXV (55-42 (XXXVIII) 49-28-47-36 (45-27-46-40 (XXXVI) 28-41) 29-14-10-8-15-2 (LI) 29-14-10-8-11-15-2 IX) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32 / H8-25,27-28,37-38,42,50H, 26H2,1-7H3, (h
45,46,48,51) / T35-, 37-, 38-, 42- / M1 / S1
Key Inchi
Dazigopasnjpcj, gnecsjiwsa, n
II aliis nominibus hanc substantiam
N-Benzoyl-5'-O- [bis (IV-metoxyphen) Phenylmethyl] -2' -2 - [((1,1, Dimethylethyl) Dimethyll] adenosine (aci); N6-Benzoyl-5'-O- (4,4'- DimethoxyyTrityl) -2'- O- (Tert, ButyldimethylLL) adenosine

Experimentalem spectra

Spectra praesto
1h NMR
Nmr hetero

Praedixit possessiones

Proprietatibus praesto

Biological

Proiectus

Densitas

Lipinski

Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	1.00 X CVI	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.00 X CVI	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	5.41 x CV	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	2.01 X CVI	PH I; Temp: XXV ° C	(I) ACD
Koc	6.87 x CVI	PH II; Temp: XXV ° C	(I) ACD
Koc	9.08 x CVI	PH III; Temp: XXV ° C	(I) ACD
Koc	9.38 x CVI	PH IV; Temp: XXV ° C	(I) ACD
Koc	9.39 x CVI	PH V; Temp: XXV ° C	(I) ACD
Koc	9.19 x CVI	Ph VI; Temp: XXV ° C	(I) ACD
Koc	7.53 x CVI	PH VII; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Koc	2.73 x CVI	PH VIII; Temp: XXV ° C	(I) ACD
Koc	4.48 x CV	PH IX; Temp: XXV ° C	(I) ACD
Koc	1.31 x CV	PH X; Temp: XXV ° C	(I) ACD
logd	9.62	PH I; Temp: XXV ° C	(I) ACD
logd	10.15	PH II; Temp: XXV ° C	(I) ACD
logd	10.27	PH III; Temp: XXV ° C	(I) ACD
logd	10.29	PH IV; Temp: XXV ° C	(I) ACD
logd	10.29	PH V; Temp: XXV ° C	(I) ACD
logd	10.28	Ph VI; Temp: XXV ° C	(I) ACD
logd	10.19	PH VII; Temp: XXV ° C	(I) ACD
logd	9.75	PH VIII; Temp: XXV ° C	(I) ACD
logd	8,97	PH IX; Temp: XXV ° C	(I) ACD
logd	8,43	PH X; Temp: XXV ° C	(I) ACD
logp	10,291 ± 0.708	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	X 10-6 G / l	Temp: XXV ° C	(I) ACD
Missam solubility	10-8 X 10-6 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	2.2 x 10-5 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	10.6 x 10-5 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	1.4 x 10-9 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	6,1 X 10-9 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-9 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	1.4 x 10-9 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	10-9 Mol X 10-3 / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	10-9 Mol X 10-3 / l	PH V; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	10-9 Mol X 10-3 / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	1.6 x 10-9 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	4.5 x 10-9 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.8 x 10-8 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	9.6 X 10-8 Mol / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	1.6 x 10-9 Mol / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Pondus	787.98
PKA	7.87 ± 0.43	Most Acidic Temp: XXV ° C	(I) ACD
PKA	1.39 ± 0.10	Maxime basic temp: XXV °	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.23 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	639,5 ± 7.0 CM3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	14		(I) ACD
H acceptors	12		(I) ACD
H donos	2		(I) ACD
H donator / Acceptor Sum	14		(I) ACD
logp	10,291 ± 0.708	Temp: XXV ° C	(I) ACD
Pondus	787.98