C34H39N3O8 Cytidine, 5′-O- [bis (4-mikorerexyphenyl) phenylmethyl] -2′-O-

ibicuruzwa

C34H39N3O8 Cytidine, 5′-O- [bis (4-mikorerexyphenyl) phenylmethyl] -2′-O-

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 617.69 -
Ingingo yo guteka (Biteganijwe) 762.6 ± 70.0 ° C. Kanda: 760 Torr
Ubucucike (Biteganijwe) 1.27 ± 0.1 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe) 13.31 ± 0.70 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C1N = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3)) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
SMILES Isomeric C (OC [C @ H] 1O [C @ H] ([C @ H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2 ) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
InChI
InChI = 1S / C34H39N3O8 / c1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-5-7-9-23,24-10-14-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25 / h5-17,20,28-30,32,38H, 18-19,21H2,1- 4H3, (H2,35,36,39) / t28-, 29-, 30-, 32- / m1 / s1
InChI Urufunguzo
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Andi mazina kuriyi ngingo
5′-O- [Bis. 11: PN: US20030170636 URUPAPURO: 17 basabye RNA; 12: PN: US20030211606 URUPAPURO: 18 basabye R NA; 12: PN: US20030212017 URUPAPURO: 19 basabye R NA; 14: PN: US20040005569 PAG E: 21 yasabye R NA; 15: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA; 15: PN: US20040005570 URUPAPURO: 19 basabye R NA; 15: PN: U S20040006030 URUPAPURO: 22 basabye R NA; 15: PN: US20040014048 URUPAPURO: 19 basabye R NA; 16: PN: US20030171313 URUPAPURO: 9 basabye RNA; 16: PN: US20030198965 URUPAPURO: 19 rwasabye R NA; 16: PN: US20040014047 URUPAPURO: 19 basabye R NA; 16: PN: US20040014049 URUPAPURO:

19 basabye RNA; 17: PN: US20040014051 URUPAPURO: 21 basabye R NA; 17: PN: US20040014699 URUPAPURO: 19 basabye R NA; 17: PN: W.
O03106645 URUPAPURO: 69 basabye R NA; 18: PN: US20040006029 URUPAPURO: 22 basabye R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 URUPAPURO: 15 basabye R NA; 5: PN: WO2005006958 URUPAPURO: 61 basabye R NA; 7: PN: WO20050 07825 URUPAPURO: 61 basabye R NA; 82: PN: US20040171566 URUPAPURO: 18 rwasabye R NA; 89: PN: US20040005707 URUPAPURO: 19 basabye R NA; 9: PN: WO03084478 URUPAPURO: 56 basabye R NA

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 1.56 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.99 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 6.19 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 38.0 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 116 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 146 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 150 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 151 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 151 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 151 pH 10; Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 13.0 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 16.6 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 51.8 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 318 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 966 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Koc 1220 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 1260 pH 7; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 1260 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 1260 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 1260 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 1.18 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 1.29 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 1.78 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 2.57 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 3.05 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 3.16 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD 3.17 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD 3.17 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD 3.17 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD 3.17 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 3.169 ± 0.598 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 5.2 x 10-3 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.51 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0,40 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.13 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.020 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 6.8 x 10-3 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.4 x 10-3 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.3 x 10-3 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.2 x 10-3 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.2 x 10-3 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.2 x 10-3 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.3 x 10-3 g / L. Amazi adafite ingufu pH 7.05; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 8.4 x 10-6 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.2 x 10-4 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.4 x 10-4 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.1 x 10-4 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.3 x 10-5 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.1 x 10-5 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 8.7 x 10-6 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.5 x 10-6 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.4 x 10-6 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.4 x 10-6 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.4 x 10-6 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.5 x 10-6 mol / L. Amazi adafite ingufu pH 7.05; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 617.69    
pKa 13.31 ± 0.70 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa 4.58 ± 0.10 Ubushyuhe bwibanze: 25 ° C. (1) ACD
Umuvuduko w'umwuka 1.89 x 10-24 Torr Ubushyuhe: 25 ° C. (1) ACD

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Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.27 ± 0.1 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 483.8 ± 7.0 cm3 / mol Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD

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Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 14   (1) ACD
H Abakira 11   (1) ACD
H Abaterankunga 3   (1) ACD
H Abaterankunga / Abemera Sum 14   (1) ACD
logP 3.169 ± 0.598 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 617.69    

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Imiterere ijyanye

Umutungo Agaciro

Imiterere

Inkomoko
Ubuso bwa polarike 134 A2 (1) ACD

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Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo 762.6 ± 70.0 ° C. Kanda: 760 Torr (1) ACD
Umwuka wo guhumeka 116.53 ± 3.0 kJ / mol Kanda: 760 Torr (1) ACD
Flash point 415.0 ± 35.7 ° C.   (1) ACD

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR


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