기본 정보
- 표준 SMILES
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O- InChIKey
PQGCEDQWHSBAJP-TXICZTDVSA-N- 분자식
- C5H13O14P3
- 평균 분자량
- 390.07 g/mol
- 단동위원소 질량
- 389.95181499
개요
5-O-phosphono-alpha-D-ribofuranosyl diphosphate is a derivative of alpha-D-ribose having a phosphate group at the 5-position and a diphosphate at the 1-position. It has a role as a mouse metabolite, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to an alpha-D-ribose. It is a conjugate acid of a 5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-).
이름 및 식별자
- 우선 이름
- Phosphoribosyl Pyrophosphate
- IUPAC
- [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate
- 현지명
- 알파-D-리보푸라노스5-(인산이수소)1-(이인산삼수소)
- 영어명
- alpha-D-ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate)
- 분자식
- C5H13O14P3
- 분자량
- 390.069603
이름 및 동의어
PHOSPHORIBOSYL PYROPHOSPHATE7540-64-9W5555R4ERG5-phosphoribosyl-1-pyrophosphateDTXSID40895038alpha-D-Ribofuranose, 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate)(((2R,3S,4R,5R)-3,4-DIHYDROXY-5-((HYDROXY(PHOSPHONOOXY)PHOSPHORYL)OXY)OXOLAN-2-YL)METHOXY)PHOSPHONIC ACID{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid(((((2R,3R,4S,5R)-3,4-dihydroxy-5-((phosphonooxy)methyl)oxolan-2-yl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid[({[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acidRefChem:537483Pyrophosphate, Phosphoribosyl
이름 더 보기
알파-D-리보푸라노스5-(인산이수소)1-(이인산삼수소)Uridine Impurity 30Phosphoribosyl-1-pyrophosphate5-Phosphoribosyl 1-diphosphatePhosphoribosylpyrophosphoric acidα-D-Ribofuranose,5-phosphate 1-pyrophosphateCiclopirox Impurity 2(Ciclopirox EP Impurity B )α-D-Ribofuranose 1-diphosphoric acid 5-phosphoric acidα-D-Ribofuranose, 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate)
DTXCID301324595231-417-8PRPP5-Phospho-alpha-D-ribose 1-diphosphateAlpha-Phosphoribosylpyrophosphoric AcidPRib-PP5-Phosphoribosyl diphosphatephosphoribosylpyrophosphate
데이터베이스 식별자
- CAS
13270-65-0、7540-64-9- PubChem CID
- 7339
- DTXSID
DTXSID40895038- ChEMBL
CHEMBL1235437、CHEMBL606077- ChEBI
CHEBI:17111- UNII
- W5555R4ERG
- EC Number
- 231-417-8
- Nikkaji
- J40.073D
물성
구조 계산 물성
- XLogP
- -5.8
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 521
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section161.1 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 끓는 점
- 804.4 · 804.4±75.0 °C(Predicted)
- 밀도
- 2.15 · 2.15±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.96 · 0.96±0.50(Predicted)
화학 및 산업
약리 정보
Tissue LocationsErythrocyte
Cellular LocationsCytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
공급사3 곳
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences16314854226 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
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