기본 정보
- 표준 SMILES
O=C(CO)COP(=O)(O)O- InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-N- 분자식
- C3H7O6P
- 평균 분자량
- 170.06 g/mol
- 단동위원소 질량
- 169.99802457
개요
Dihydroxyacetone phosphate is a member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone and a member of glycerone phosphates. It is functionally related to a dihydroxyacetone. It is a conjugate acid of a glycerone phosphate(2-).
이름 및 식별자
- 우선 이름
- Dihydroxyacetone Phosphate
- IUPAC
- (3-hydroxy-2-oxopropyl) dihydrogen phosphate
- 현지명
- 1-하이드록시-3-(포스포노옥시)아세톤
- 영어명
- 1-hydroxy-3-(phosphonooxy)acetone
- 분자식
- C3H7O6P
- 분자량
- 170.06
이름 및 동의어
DIHYDROXYACETONE PHOSPHATEGlycerone phosphateDHAP57-04-5dihydroxyacetone 3-phosphate1-hydroxy-3-(phosphonooxy)-2-propanoneDihydroxyacetone monophosphate1-Hydroxy-3-(phosphonooxy)acetone2-Propanone, 1-hydroxy-3-(phosphonooxy)-1,3-Dihydroxy-2-propanone phosphate3-hydroxy-2-oxopropyl phosphate1,3-Dihydroxyacetone 1-phosphate
이름 더 보기
1-하이드록시-3-(포스포노옥시)아세톤Dihydroxyacetone phosphate hemimagnesium salt hydrateDHAP Na2Dioxyacetone phosphateGlycerone phosphate lithium saltDihydroxyacetone phosphate (DHAP)
glycerone monophosphate(3-hydroxy-2-oxopropyl) dihydrogen phosphateT7KF2T6W95(3-hydroxy-2-oxopropoxy)phosphonic acidDTXSID6058768CHEBI:161081,3-Dihydroxy-2-propanone monodihydrogen phosphatePhosphate, Dihydroxyacetone
데이터베이스 식별자
- CAS
57-04-5- PubChem CID
- 668
- DTXSID
DTXSID6058768- ChEMBL
CHEMBL1161998- ChEBI
CHEBI:16108- UNII
- T7KF2T6W95
- EC Number
- 200-308-7
- Nikkaji
- J213.543D
물성
구조 계산 물성
- XLogP
- -2.5
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 158
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
144.07 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
146.7 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
143.2 Ų [M+Na]+
물리화학적 성질
- 끓는 점
- 409.1 · 409.1±51.0 °C(Predicted)
- 밀도
- 1.731 · 1.731±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 물(약간 용해됨)
- 물리적 상태
- Sticky Solid
- 산도 계수 (pKa)
- 1.65 · 1.65±0.10(Predicted)
- 색상
- 회백색
- 안정성
- 흡습성
- InChI
- 1S/2C3H7O6P.Mg.H2O/c2*4-1-3(5)2-9-10(6,7)8;;/h2*4H,1-2H2,(H2,6,7,8);;1H2/q;;+2;/p-2
- InChIKey
- XIBMKSGIYJARCI-UHFFFAOYSA-L
- SMILES
- O.OCC(=O)COP(O)(=O)O[Mg]OP(O)(=O)OCC(=O)CO
- EPA
- 2 · 2-Propanone, 1-hydroxy-3-(phosphonooxy)- (57-04-5)
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsPeroxisome
Metabolite PathwaysCardiolipin Biosynthesis
용도 및 제조
General Manufacturing Information2-Propanone, 1-hydroxy-3-(phosphonooxy)-: INACTIVE
상·하류 제품 정보
하류 제품
공급사10 곳
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
常州协丰医药研发有限公司519-85601385 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent.
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