C30H30N2O8 Uridine, 5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] - (9CI, ACI)

ibicuruzwa

C30H30N2O8 Uridine, 5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] - (9CI, ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 546.57 -
Ingingo yo gushonga (Ubushakashatsi) 111-112 ° C. Umuti: Ethyl acetate
Ubucucike (Biteganijwe) 1.343 ± 0.06 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe) 9.39 ± 0.10 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O
SMILES Isomeric C (OC [C @ H] 1O [C @ H] ([C @ H] (O) [C @@ H] 1O) 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 / C30H30N2O8 / c1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38- 2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-
17-16-25 (33) 31-29 (32) 36 / h3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36) / t24-, 26 -, 27-, 28- / m1 / s1
InChI Urufunguzo
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Andi mazina kuriyi ngingo
5′-O- [Bis (4-mikorerexyphenyl) fenylmethyl] uridine (ACI); Uridine, 5′-O- [α, α-bis (p-mikorerexyphenyl) benzyl] - (7CI); 5′-Urimetine ya Dimethoxytrityl; 5′-O- (4,4′-Dimethoxytrityl) uridine

Ibyiza Byubushakashatsi

Ibyiza birahari
Ubushyuhe

Ubushyuhe

Umutungo Agaciro Imiterere

Inkomoko

Ingingo yo gushonga 122-123 ° C.    

(1) URUBANZA

Ingingo yo gushonga 111-112 ° C. Umuti: Ethyl acetate

(2) URUBANZA

Ingingo yo gushonga Reba Inyandiko Yuzuye    

(3) URUBANZA

(1) Zekri, Negar; Amatangazo ya societe yimiti ya Etiyopiya, (2010), 24 (2), 299-304, CAplus

(2) Patil, Premanand Ramrao; Ikinyamakuru cya Carbohydrate Chemistry, (2008), 27 (5), 279-293, CAplus

(3) Khalafi-Nezhad, Ali; Amabaruwa ya Tetrahedron, (2004), 45 (36), 6737-6739, CAplus

Ikigereranyo

Spectra irahari
1H NMR
13C NMR
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 904 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 904 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 904 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 904 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 904 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 904 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 900 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 861 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 602 pH 9; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 156 pH 10; Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 4550 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 4550 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 4550 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 4550 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 4550 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Koc 4540 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 4520 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 4330 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 3030 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 785 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD 4.17 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD 4.02 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD 3.43 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 4.192 ± 0.628 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 3.2 x 10-4 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Gukemura ibibazo 3.3 x 10-4 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-4 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.9 x 10-3 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-4 g / L. Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.1 x 10-7 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.7 x 10-7 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.4 x 10-6 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-7 mol / L. Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 546.57    
pKa 9.39 ± 0.10 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD

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Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.343 ± 0.06 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 406.9 ± 3.0 cm3 / mol Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD

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Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 11   (1) ACD
H Abakira 10   (1) ACD
H Abaterankunga 3   (1) ACD
H Abaterankunga / Abemera Sum 13   (1) ACD
logP 4.192 ± 0.628 Ubushyuhe: 25 ° C. (1) ACD
 

 

Umutungo Agaciro

Imiterere

Inkomoko
Uburemere bwa molekile 546.57

.

Imiterere ijyanye

Umutungo Agaciro

Imiterere

Inkomoko
Ubuso bwa polarike 127 A2 (1) ACD

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR


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