C40H49N4O9P Uridine, 5 ′ -O-

Amakuru y'ibanze:

Ohereza imeri kuri twe

Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

110764-79-9

H335, H331, H319, H315, H311, H301 + H311 + H331, H301

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	760.81	-
pKa (Byahanuwe)	9.39 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = CC (= O) NC2 = O) 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) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5

InChI

InChI = 1S / C40H49N4O9P / c1-27 (2) 44 (28 (3) 4) 54 (51-25-11-23-41) 53-36-34 (52-38 (37 (36) 49-7) 43-24-22-35 (45) 42-39 (43) 46) 26-50-40 (29-1 2-9-8-10-13-29,30-14-18-32 (47-5) ) 19-15-30) 31-16-20-33 (48-6) 21-17-31 / h8-10,12-22,24,27-28,34,36-38H, 11,25-26H2 , 1-7H3,

(H, 42,45,46) / t34-, 36-, 37-, 38-, 54? / M1 / s1

InChI Urufunguzo

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Irindi zina kuriyi ngingo

Uridine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)

Spectra irahari

Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	254	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2050	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	15400	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	46000	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	57500	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	58900	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	58900	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	56800	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	42300	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	12200	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	389	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	3140	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	23600	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	70500	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	88100	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	90300	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	90200	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Koc	87100	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	64800	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	18700	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	4.21	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.12	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.00	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.47	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.57	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.58	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.58	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.56	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.44	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.90	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	6.581 ± 0.646	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	8.4 x 10-5 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.019 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.4 x 10-3 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	3.1 x 10-4 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-4 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.4 x 10-5 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.4 x 10-5 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.4 x 10-5 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.4 x 10-5 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-4 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	4.0 x 10-4 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	8.4 x 10-5 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	1.1 x 10-7 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.5 x 10-5 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.1 x 10-6 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.1 x 10-7 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.4 x 10-7 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	1.5 x 10-7 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	5.2 x 10-7 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.1 x 10-7 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	760.81
pKa	9.39 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	3.45 ± 0.70	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	18		(1) ACD
H Abakira	13		(1) ACD
H Abaterankunga	1		(1) ACD
H Abaterankunga / Abemera Sum	14		(1) ACD
logP	6.581 ± 0.646	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	760.81

Imiterere ijyanye

Umutungo	Agaciro	Inkomoko
Ubuso bwa polarike	155 A2	(1) ACD

Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR

GHS Ibyatangajwe

Kode	Amagambo ya Hazard	Inkomoko
H335	Birashobora gutera uburakari	Impuguke Yatunganijwe
H331	Uburozi niba buhumeka	Impuguke Yatunganijwe
H319	Bitera uburakari bukabije bw'amaso	Impuguke Yatunganijwe
H315	Bitera kurwara uruhu	Impuguke Yatunganijwe

Kode	Amagambo ya Hazard	Inkomoko
H311	Uburozi buhuye nuruhu	Impuguke Yatunganijwe
H301 + H311 + H331	Uburozi iyo bumize, uhuye nuruhu cyangwa rwumuhumekero	Impuguke Yatunganijwe
H301	Uburozi niba bumize	Impuguke Yatunganijwe