C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)

Taarifa za Msingi:

Tutumie barua pepe

Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	787.98	-
Msongamano (Uliotabiriwa)	1.23±0.1 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kikanuni
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=CC7C=CC=
Isomeric TABASAMU
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C=3C(N=C2)=C(N C(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(3) 8)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)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/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
Ufunguo wa InChi
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Majina Mengine ya Dawa hii
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine (ACI); N6-Benzoyl-5′-O-(4,4′- dimethoxytrityl)-2′-O-(tert-butyldimethylsilyl)adenosine

Spectra ya Majaribio

Spectra inapatikana
1H NMR
Hetero NMR

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 2; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 3; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 4; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 5; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 6; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 7; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 8; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 9; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	5.41 x 105	pH 10; Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	2.01 x 106	pH 1; Joto: 25 °C	(1) ACD
Koc	6.87 x 106	pH 2; Joto: 25 °C	(1) ACD
Koc	9.08 x 106	pH 3; Joto: 25 °C	(1) ACD
Koc	9.38 x 106	pH 4; Joto: 25 °C	(1) ACD
Koc	9.39 x 106	pH 5; Joto: 25 °C	(1) ACD
Koc	9.19 x 106	pH 6; Joto: 25 °C	(1) ACD
Koc	7.53 x 106	pH 7; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Koc	2.73 x 106	pH 8; Joto: 25 °C	(1) ACD
Koc	4.48 x 105	pH 9; Joto: 25 °C	(1) ACD
Koc	1.31 x 105	pH 10; Joto: 25 °C	(1) ACD
logD	9.62	pH 1; Joto: 25 °C	(1) ACD
logD	10.15	pH 2; Joto: 25 °C	(1) ACD
logD	10.27	pH 3; Joto: 25 °C	(1) ACD
logD	10.29	pH 4; Joto: 25 °C	(1) ACD
logD	10.29	pH 5; Joto: 25 °C	(1) ACD
logD	10.28	pH 6; Joto: 25 °C	(1) ACD
logD	10.19	pH 7; Joto: 25 °C	(1) ACD
logD	9.75	pH 8; Joto: 25 °C	(1) ACD
logD	8.97	pH 9; Joto: 25 °C	(1) ACD
logD	8.43	pH 10; Joto: 25 °C	(1) ACD
logP	10.291±0.708	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	1.1 x 10-6 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.8 x 10-6 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.4 x 10-6 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.1 x 10-6 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.0 x 10-6 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.0 x 10-6 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.0 x 10-6 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-6 g/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.5 x 10-6 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.2 x 10-5 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	7.6 x 10-5 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-6 g/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	1.4 x 10-9 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	6.1 x 10-9 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.8 x 10-9 mol/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.4 x 10-9 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.3 x 10-9 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.3 x 10-9 mol/L	pH 5; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	1.3 x 10-9 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.6 x 10-9 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	4.5 x 10-9 mol/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.8 x 10-8 mol/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	9.6 x 10-8 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.6 x 10-9 mol/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Uzito wa Masi	787.98
pKa	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	1.39±0.10	Joto la Msingi Zaidi: 25 °C	(1) ACD

Msongamano

Mali	Thamani	Hali	Chanzo
Msongamano	1.23±0.1 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha Molar	639.5±7.0 cm3/mol	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	14		(1) ACD
H Wakubali	12		(1) ACD
H Wafadhili	2		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	14		(1) ACD
logP	10.291±0.708	Joto: 25 °C	(1) ACD
Uzito wa Masi	787.98