기본 정보
- CAS
10139-18-1- 표준 SMILES
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RWHOZGRAXYWRNX-VFUOTHLCSA-N- 분자식
- C6H14O12P2
- 평균 분자량
- 340.12 g/mol
- 단동위원소 질량
- 339.99604915
개요
Alpha-D-glucose 1,6-bisphosphate is a D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates. It has a role as an Escherichia coli metabolite and a human metabolite. It is functionally related to an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1,6-bisphosphate(4-).
이름 및 식별자
- 우선 이름
- Glucose 1,6-bisphosphate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
- 현지명
- 알파-D-글루코스1,6-비스(인산이수소)
- 영어명
- alpha-D-glucose 1,6-bis(dihydrogen phosphate)
- 분자식
- C6H14O12P2
- 분자량
- 340.115682
이름 및 동의어
alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphate10139-18-1Glucose 1,6-diphosphateglucose-1,6-bisphosphatealpha-D-Glucose 1,6-bis(dihydrogen phosphate)DRX17R6AM2alpha-D-glucopyranose, 1,6-bis(dihydrogen phosphate)alpha-D-Glucose 1,6-biphosphateglucose-1,6-diphosphateCHEBI:18148DTXSID801014547
이름 더 보기
알파-D-글루코스1,6-비스(인산이수소)C00660D-Glucose 1,6-bisphosphateα-D-Glucopyranose 1,6-bisphosphoric acidα-D-Glucopyranose, 1,6-bis(dihydrogen phosphate)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyphosphonic acid(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
RefChem:555625DTXCID301437120(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl)methoxy)phosphonic acid233-395-51,6-di-O-phosphono-alpha-D-glucopyranosealpha-D-Glucose 1,6-diphosphateD-Glucose 1,6-biphosphateD-Glucose 1,6-diphosphate
데이터베이스 식별자
- CAS
10139-18-1- PubChem CID
- 82400
- DTXSID
DTXSID801014547- ChEBI
CHEBI:18148- UNII
- DRX17R6AM2
- EC Number
- 233-395-5
- Nikkaji
- J40.064E
물성
구조 계산 물성
- XLogP
- -5.3
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 414
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP-4.374
Physical DescriptionSolid
Collision Cross Section159.11 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 끓는 점
- 733.2 · 733.2±70.0 °C(Predicted)
- 밀도
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.73 · 1.73±0.10(Predicted)
- EPA
- 1 · .alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) (10139-18-1)
안전 및 규제
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-17729
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Metabolite PathwaysGlycogen synthetase deficiency
용도 및 제조
General Manufacturing Information.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate): ACTIVE
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
추가 설명
정의ChEBI: A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates.
관련 반응
5건
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