기본 정보
- 표준 SMILES
O=P(O)(O)OCC(O)CO- InChIKey
AWUCVROLDVIAJX-UHFFFAOYSA-N- 분자식
- C3H9O6P
- 평균 분자량
- 172.07 g/mol
- 단동위원소 질량
- 172.01367464
개요
Glycerol 1-phosphate is a glycerol monophosphate having the phosphate group located at position 1. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of a glycerol 1-phosphate(2-).
이름 및 식별자
- 우선 이름
- Glyceryl 1-phosphate
- IUPAC
- 2,3-dihydroxypropyl dihydrogen phosphate
이름 및 동의어
3-GlycerophosphateGlycerol 3-phosphateGlycerol 1-phosphate1-GlycerophosphateDL-Glycerol 1-phosphateGlycerol alpha-phosphateDL-Glycerol 3-phosphateglyceryl 1-phosphateCHEBI:14336DL-Glyceryl 1-phosphaterac-Glycerol 1-phosphate9NTI6P3O4X
이름 더 보기
D,L-alpha-glycerol-phosphateRefChem:1085932Glycerophosphoric acid57-03-42,3-dihydroxypropyl dihydrogen phosphate1-Glycerophosphoric acidalpha-glycerophosphoric acidalpha-Phosphoglycerol
데이터베이스 식별자
- CAS
17603-42-8、57-03-4- PubChem CID
- 754
- DTXSID
DTXSID6023105- ChEMBL
CHEMBL358320- ChEBI
CHEBI:14336- UNII
- 9NTI6P3O4X
- EC Number
- 200-307-1、241-577-0
- Nikkaji
- J4.450D、J4.452K
물성
구조 계산 물성
- XLogP
- -2.9
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 129
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals
Physical DescriptionAbsolute acid: Clear syrupy liquid; [Merck Index]
Collision Cross Section
124.86 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
137.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (48 of 48) of all reports.
Not Classified
Aggregated GHS information provided per 48 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,2,3-Propanetriol, 1-(dihydrogen phosphate)
Chemical: 1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryAbsolute acid is a commercial mixture of the alpha and beta forms; [Merck Index]
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
Uses
The absolute acid is used to make glycerophosphates and pharmaceuticals (improve taste of glycerophosphates). [Merck Index]
Use (kg; approx.) in Germany (2009): >5000
General Manufacturing Information
1,2,3-Propanetriol, 1-(dihydrogen phosphate): ACTIVE
1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt (1:?): ACTIVE
관련 반응
7건
연결된 노트
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