기본 정보
- 표준 SMILES
O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HXXFSFRBOHSIMQ-GASJEMHNSA-N- 분자식
- C6H13O9P
- 평균 분자량
- 260.14 g/mol
개요
D-glucopyranose 1-phosphate is a D-glucose monophosphate in which the phosphate group is located at position 1. It has a role as a fundamental metabolite. It is functionally related to a D-glucose and a D-glucopyranose. It is a conjugate acid of a D-glucopyranose 1-phosphate(2-).
이름 및 식별자
- 우선 이름
- D-glucopyranose 1-phosphate
- IUPAC
- [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
이름 및 동의어
D-glucopyranose 1-phosphateGLC-1-P1-O-phosphono-D-glucopyranoseCHEBI:16077D-glucopyranose 1-(dihydrogen phosphate)RefChem:130590glucose 1-phosphate[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphatea-D-Galactose 1-phosphateglucopyranose 1-phosphateSCHEMBL104855{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
이름 더 보기
Q27098367(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate
데이터베이스 식별자
- PubChem CID
- 439165
- ChEBI
CHEBI:16077- Nikkaji
- J375.972E
물성
구조 계산 물성
- XLogP
- -3.8
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
Collision Cross Section
158.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
157.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
관련 반응
6건
연결된 노트
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