기본 정보
- CAS
975-91-7- 표준 SMILES
Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C- InChIKey
ZMRGXEJKZPRBPJ-SYQHCUMBSA-N- 분자식
- C14H19N2O7P
- 평균 분자량
- 358.28 g/mol
- 단동위원소 질량
- 358.09298795
개요
Alpha-ribazole 5'-phosphate is a dimethylbenzimidazole, a ribose monophosphate and a 1-ribosylbenzimidazole. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to an alpha-ribazole. It is a conjugate acid of an alpha-ribazole 5'-phosphate(2-).
이름 및 식별자
- 우선 이름
- alpha-Ribazole 5'-phosphate
- IUPAC
- [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- 현지명
- N(1)-(5-포스포리보실)-5,6-디메틸벤즈이미다졸
- 영어명
- N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole
- 분자식
- C14H19N2O7P
- 분자량
- 358.283621
이름 및 동의어
975-91-7alpha-ribazole 5'-phosphateALPHA-RIBAZOLE-5'-PHOSPHATETT4G266KJNN(1)-(5-Phosphoribosyl)-5,6-dimethylbenzimidazolen1-(5-phospho-alpha-d-ribosyl)-5,6-dimethylbenzimidazoleCHEBI:16837DTXSID10243007[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate((2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphateRefChem:555933DTXCID70165498
이름 더 보기
N(1)-(5-포스포리보실)-5,6-디메틸벤즈이미다졸Methylcobalamin Impurity 8(1S)-1-(5,6-dimethyl-benzoimidazol-1-yl)-O5-phosphono-D-1,4-anhydro-ribitol
alpha-ribazole-5'-PUNII-TT4G266KJN5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidN1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazoleBenzimidazole, 5,6-dimethyl-1-alpha-D-ribofuranosyl-, 5'-phosphateMethylcobalamin Impurity 10alpha-ribazole-5'-PO4
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 504
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP-0.524
Physical DescriptionSolid
화학 및 산업
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