기본 정보
- 표준 SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12- InChIKey
NQEQTYPJSIEPHW-MNOVXSKESA-N- 분자식
- C11H14NO6P
- 평균 분자량
- 287.21 g/mol
- 단동위원소 질량
- 287.05587416
개요
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is the (1S,2R)-diastereomer of 1-C-(indol-3-yl)glycerol 3-phosphate. It is a conjugate acid of a (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate(2-).
이름 및 식별자
- 우선 이름
- Indole-3-Glycerol Phosphate
- IUPAC
- [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
이름 및 동의어
indole-3-glycerol phosphateindoleglycerol phosphate(3-Indolyl)-glycerol phosphate[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate((2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl) dihydrogen phosphateRefChem:7909761-(1H-Indol-3-yl)-1,2,3-propanetriol 3-(dihydrogen phosphate)((2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propoxy)phosphonic acid4220-97-7IGPSIndole-3-glycerophosphate(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate
이름 더 보기
(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphateIGPC1-(3-Indolyl)-glycerol 3-phosphateSCHEMBL29598738CHEBI:51793DTXSID501344224DB04143NS00068528
데이터베이스 식별자
- PubChem CID
- 444150
- DTXSID
DTXSID501344224- ChEBI
CHEBI:51793- Nikkaji
- J2.634.853F
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 348
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
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