다이소듐글루코오스포스페이트

alpha-D-glucose 1-phosphate

HCID 65533CAS 59-56-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
HXXFSFRBOHSIMQ-VFUOTHLCSA-N
분자식
C6H13O9P
평균 분자량
260.14 g/mol
단동위원소 질량
260.02971863

개요

Alpha-D-glucose 1-phosphate is a D-glucopyranose 1-phosphate in which the anomeric centre has alpha-configuration. It is functionally related to an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1-phosphate(2-).

이름 및 식별자

우선 이름
alpha-D-glucose 1-phosphate
IUPAC
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
현지명
다이소듐글루코오스포스페이트
영어명
glucose 1-(dihydrogen phosphate)
분자식
C6H13O9P
분자량
260.13

이름 및 동의어

alpha-D-glucose-1-phosphatealpha-D-Glucose 1-phosphatealpha-D-Glucopyranosyl phosphate1-O-phosphono-alpha-D-glucopyranosealpha-D-Glucopyranose, 1-(dihydrogen phosphate)CHEBI:29042DTXSID90889321.alpha.-D-Glucopyranose, 1-(dihydrogen phosphate)alpha-D-glucopyranose 1-(dihydrogen phosphate)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) dihydrogen phosphateRefChem:555626
이름 더 보기
다이소듐글루코오스포스페이트포도당1-(이수소인산)GLC-1-Pglucose-1Palpha-D-glucose-1-Pa-Glucose-1-phosphateGlucose monophosphate.α-D-glucose1-phosphateD-glucose-alpha-1-phosphateHXXFSFRBOHSIMQ-VFUOTHLCSA-N
DTXCID001028584Glucose-1-phosphatecori ester59-56-3Glucose 1-(dihydrogen phosphate)alpha-glucose-1-phosphateGlucose monophosphateD-glucose 1-phosphate

데이터베이스 식별자

CAS
59-56-3
PubChem CID
65533
DTXSID
DTXSID90889321
ChEBI
CHEBI:29042
UNII
CIX3U01VAU
EC Number
200-435-8
Nikkaji
J40.065C

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

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubility1000.0 mg/mL
Physical DescriptionSolid
Dissociation Constants1.11
Collision Cross Section · 3건

161.83 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

145.48 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

149.4 Ų [M-H]-

물리화학적 성질

끓는 점
603 · 603.0±65.0 °C(Predicted)
밀도
1.9 · 1.90±0.1 g/cm3(Predicted)
용해도
Soluble (water), slightly soluble (ethanol)
물리적 상태
Solid
산도 계수 (pKa)
6.504 · pKa: 6.504(25°C)
색상
White to off-white

안전 및 규제

안전 데이터

tsca
TSCA listed
ridadr
1759
포장분류
III
위험 등급
8

화학 및 산업

약리 정보

Tissue LocationsFibroblasts
Cellular LocationsCytoplasm
Metabolite PathwaysCongenital disorder of glycosylation CDG-IId

용도 및 제조

General Manufacturing Information.alpha.-D-Glucopyranose, 1-(dihydrogen phosphate): INACTIVE

공급사25 곳

临沂锎源化学科技有限公司13188735557 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]

추가 설명

정의ChEBI: A D-glucopyranose 1-phosphate in which the anomeric centre has alpha-configuration.

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