기본 정보
- CAS
2906-23-2- 표준 SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
CGPHZDRCVSLMCF-JZMIEXBBSA-N- 분자식
- C15H25N3O16P2
- 평균 분자량
- 565.32 g/mol
- 단동위원소 질량
- 565.07100571
개요
CDP-alpha-D-glucose is a CDP-D-glucose having alpha-configuration at the anomeric centre. It is a conjugate acid of a CDP-alpha-D-glucose(2-).
이름 및 식별자
- 우선 이름
- CDP-glucose
- IUPAC
- [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
- 영어명
- [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl]oxy-phosphinic acid
- 분자식
- C15H25N3O16P2
- 분자량
- 0
이름 및 동의어
CDP-glucose{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid(((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(((hydroxy((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))phosphoryl)oxy))phosphinic acidRefChem:1081302Cytidine diphosphate glucose2906-23-2C3MET5N4NRCytidine 5'-diphosphoglucoseUNII-C3MET5N4NR[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphateCytidine 5-(trihydrogen diphosphate) mono-D-glucosyl esterCDP-glc
이름 더 보기
[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl]oxy-phosphinic acid
[CYTIDINE-5'-PHOSPHATE]-BETA-GLUCOSYL-PHOSPHORIC ACID ESTERCytidine pyrophosphate, alpha-D-glucosyl esterCytidine 5-(trihydrogen diphosphate), p-alpha-D-glucopyranosyl esterCytidine 5'-(trihydrogen pyrophosphate), mono-alpha-D-glucopyranosyl ester(((((2R,3S,4R,5R)-5-(4-Amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))phosphinic acid[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acidCHEMBL227515SCHEMBL29424330
물성
구조 계산 물성
- XLogP
- -6.5
- 극성 표면적
- 301 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 980
실험 및 물리화학적 성질
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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