C44H49n5o7si adenosine, N-benzoyl-5'-o- [bis (4-methocelhyPhenyl) fenylmethyl] -2'- [(1,1-dimyLYl) dimethylsilyl) - (9ci, aci) featured image

C44H49n5o7si adenosine, N-benzoyl-5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'- [(1,1-dimethylethyl) dimethylsilyl] - (9ci, aci)

Basisynformaasje:

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Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	787.98	-
Tichtheid (foarsizze)	1.23 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	7,87 ± 0.43	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes
O = c (nc1 = nc = nc = c1n = cn2c3oc (cv = c (cv = c = c = c (c) c = c (c) c (c) c (c) c) c = (c) c) c = 7c = cc = cc7
Isomeryske glimkes
C (oc [c @ h] 1O [c @ h] ([c @ h] (c (c (c) c) (c) c) (c) c) [c @@ h] 1o) n2c = 3c (n = c2) = c (n C (= o) c4 = cc = cv = c4) n = cn3) (c5 = c (cv = c = c5) (c6 = c (c6) c = c6 = cc = c7
Inchi
Inchi = 1s / c44h49n5o7si / c1-43 (2,3) 57 (6,7) 56-37 (50) 45 (55-247-36-39 (45-26-46-40 (36) 49) 48-41 (51) 29-141 (51) 29-141-8-11-11-1 9) 26-54-44 (30-16-12-9-13-17-13.31-18-22-33 (52-4-24-34 (52-3-24-34 (53-5-32 / H8-25 / H8-25,27-28,47-38,47,42,50,50, 26h2,1-7h3, (h,
45,46.48,51) / T35-, 37-, 38-, 42- / M1 / S1
Inchi-kaai
Dazigopasnjpcj-gnecsjiwssa-n
2 oare nammen foar dizze substansje
N-benzoyl-5'-o- [bis (4-methocosphenyl) fenylmethyl] -2'-o - [(1,1-dimetyLethyl) dimethylsilyl] adenosine (aci); N6-Benzoyl-5'-o- (4,4'-dimethoxytrityl) -2'-o- (tert-butyldimethylsilyl) adenosine

Eksperimintele spektra

Spectra te krijen
1h nmr
Hetero nmr

Foarsichtich eigenskippen

Eigenskippen beskikber

Biologysk

Gemysk

Densheid

Lipinski

Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	1,00 x 106	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1,00 x 106	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	5.41 x 105	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	2.01 x 106	pH 1; Temp: 25 ° C	(1) ACD
Koc	6.87 x 106	pH 2; Temp: 25 ° C	(1) ACD
Koc	9,08 x 106	pH 3; Temp: 25 ° C	(1) ACD
Koc	9.38 x 106	pH 4; Temp: 25 ° C	(1) ACD
Koc	9.39 x 106	pH 5; Temp: 25 ° C	(1) ACD
Koc	9.19 x 106	pH 6; Temp: 25 ° C	(1) ACD
Koc	7.53 x 106	pH 7; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Koc	2.73 x 106	pH 8; Temp: 25 ° C	(1) ACD
Koc	4.48 x 105	pH 9; Temp: 25 ° C	(1) ACD
Koc	1.31 X 105	pH 10; Temp: 25 ° C	(1) ACD
Logd	9.62	pH 1; Temp: 25 ° C	(1) ACD
Logd	10.15	pH 2; Temp: 25 ° C	(1) ACD
Logd	10.27	pH 3; Temp: 25 ° C	(1) ACD
Logd	10.29	pH 4; Temp: 25 ° C	(1) ACD
Logd	10.29	pH 5; Temp: 25 ° C	(1) ACD
Logd	10.28	pH 6; Temp: 25 ° C	(1) ACD
Logd	10.19	pH 7; Temp: 25 ° C	(1) ACD
Logd	9.75	pH 8; Temp: 25 ° C	(1) ACD
Logd	8.97	pH 9; Temp: 25 ° C	(1) ACD
Logd	8.43	pH 10; Temp: 25 ° C	(1) ACD
Logp	10.291 ± 0.708	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	1.1 X 10-6 G / L	Temp: 25 ° C	(1) ACD
Massa-oplosberens	4,8 x 10-6 G / L	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1,4 x 10-6 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.1 X 10-6 G / L	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.0 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.0 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.0 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.3 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	3,5 x 10-6 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	2.2 x 10-5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	7.6 x 10-5 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.3 x 10-6 g / l	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	1,4 x 10-9 Mol / L	Temp: 25 ° C	(1) ACD
Milarlabiliteit	6.1 X 10-9 Mol / L	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,8 x 10-9 Mol / L	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,4 x 10-9 Mol / L	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-9 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-9 mol / l	pH 5; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	1.3 x 10-9 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.6 x 10-9 Mol / L	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	4,5 x 10-9 Mol / L	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2,8 x 10-8 Mol / L	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	9,6 x 10-8 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.6 x 10-9 Mol / L	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	787.98
pka	7,87 ± 0.43	Meast Acidic Temp: 25 ° C	(1) ACD
pka	1.39 ± 0.10	Meast basic temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.23 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	639,5 ± 7,0 cm3 / mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	14		(1) ACD
H akseptearders	12		(1) ACD
H Donors	2		(1) ACD
H Donor / akseptearje SUM	14		(1) ACD
Logp	10.291 ± 0.708	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	787.98