C40H49N4O9P Uridine, 5 ′ -O-
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. |
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
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
| 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 |
.
| 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 ingufu 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 ingufu 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 |
.
| 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 |
.
| Umutungo | Agaciro | Inkomoko |
| Ubuso bwa polarike | 155 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR
| 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 |
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