C43H55N4O10P Uridine, 5 ′ -O- methylethyl) fosifore amidite] (ACI)

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

163878-63-5

H302

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	818.89	-
pKa (Byahanuwe)	9.55 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) 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] (OCCOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5

InChI

InChI = 1S / C43H55N4O10P / c1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26- 25-50-6) 46-27-31 (5) 40 (48) 45-42 (46) 49) 2 8-54-43 (32-13-10-9-11-14-32,33-15 -19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34 / h9-11,13-22,27,29-30,37-39 , 41H, 12,24-26,28H2, 1-8H3, (H, 45,48,49) / t37-, 38-, 39-, 41-, 58? / M1 / s1

InChI Urufunguzo

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Andi mazina kuriyi ngingo

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

amidite] (9CI);10: PN: US20030212017 URUPAPURO: 18 basabye RNA;11: PN: US20030211606 URUPAPURO: 18 basabye RNA;13: PN: US20040

005569 URUPAPURO: 21 basabye RNA;13: PN: US20040006030 URUPAPURO: 22 basabye RNA;13: PN: US20040014048 URUPAPURO: 19 basabye RNA;13: PN: US20040014049 URUPAPURO: 19 basabye RNA;14: PN: US20030198965 URUPAPURO: 19 basabye RNA;14: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA;14: PN: US20040005570 URUPAPURO: 19 basabye RNA;14: PN: US20040014047 URUPAPURO: 19 basabye RNA;14: PN: US20040

014699 URUPAPURO: 19 basabye RNA;15: PN: US20040014050 URUPAPURO: 19 basabye RNA;15: PN: US20040014051 URUPAPURO: 21 basabye RNA;15:

PN: WO03106645 URUPAPURO: 69 basabye RNA;16: PN: US20040006029 URUPAPURO: 22 basabye RNA;87: PN: US20040005707 URUPAPURO: 19 basabye RNA

Ikigereranyo

Spectra irahari
1 H NMR
13 C NMR
Hetero NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	348	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	2810	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	21100	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	63100	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	78800	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	80800	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	80800	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	78800	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	63400	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	21800	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	487	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	3940	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	29600	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	88400	pH 4;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	1.10 x 105	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.13 x 105	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.13 x 105	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Koc	1.10 x 105	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	88800	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	30600	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logD	4.39	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	5.30	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.18	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.65	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.75	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.76	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.76	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.75	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.65	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	6.19	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	6.761 ± 0.669	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	2.0 x 10-4 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.046 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.7 x 10-3 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	7.6 x 10-4 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.5 x 10-4 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.5 x 10-4 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	7.4 x 10-4 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	2.4 x 10-7 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	5.6 x 10-5 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.0 x 10-6 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	9.3 x 10-7 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.1 x 10-7 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.5 x 10-7 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.4 x 10-7 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.4 x 10-7 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.5 x 10-7 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.1 x 10-7 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	9.0 x 10-7 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.4 x 10-7 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	818.89
pKa	9.55 ± 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	21		(1) ACD
H Abakira	14		(1) ACD
H Abaterankunga	1		(1) ACD
H Abaterankunga / Abemera Sum	15		(1) ACD
logP	6.761 ± 0.669	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	818.89