이소펜텐일피로인산염암모늄200

Isopentenyl diphosphate

HCID 1195CAS 358-71-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=C(C)CCOP(=O)(O)OP(=O)(O)O
InChIKey
NUHSROFQTUXZQQ-UHFFFAOYSA-N
분자식
C5H12O7P2
평균 분자량
246.09 g/mol
단동위원소 질량
246.00582598

개요

Isopentenyl diphosphate is a prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. It has a role as an antioxidant, an epitope, an antigen, a phosphoantigen, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of an isopentenyl diphosphate(3-).

이름 및 식별자

우선 이름
Isopentenyl diphosphate
IUPAC
3-methylbut-3-enyl phosphono hydrogen phosphate
현지명
이소펜텐일피로인산염암모늄200
영어명
ISOPENTENYL PYROPHOSPHATE AMMONIUM 200
분자식
C5H12O7P2
분자량
246.09

이름 및 동의어

isopentenyl pyrophosphateisopentenyl diphosphate358-71-43-Methyl-3-butenyl pyrophosphate3-methylbut-3-enyl phosphono hydrogen phosphateIPPPMono(3-methyl-3-butenyl) diphosphatedelta3-Isopentenyl diphosphateDiphosphoric acid mono(3-methyl-3-butenyl) esterLSC8849M7BCHEBI:16584DTXSID80861893
이름 더 보기
이소펜텐일피로인산염암모늄200ISOPENTENYLDIPHOSPHATEisopentenylpyrophosphateNUHSROFQTUXZQQ-UHFFFAOYSA-NISOPENTENYL PYROPHOSPHATE AMMONIUM 2003-Methyl-3-butene-1-ol diphosphoric acidisopentenyl pyrophosphate ammonium*200 ug/vialDiphosphoric acid α-(3-methyl-3-butenyl) esterDiphosphoric acid P1-(3-methyl-3-butenyl) esterDiphosphoric acid,P-(3-methyl-3-buten-1-yl) ester
delta3-methyl-3-butenyl diphosphate({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid((hydroxy((3-methylbut-3-en-1-yl)oxy)phosphoryl)oxy)phosphonic acidRefChem:792034DTXCID008107473-methylbut-3-enyl diphosphate3-methylbut-3-en-1-yl trihydrogen diphosphateIsopentenyl-diphosphate

데이터베이스 식별자

CAS
358-71-4
PubChem CID
1195
DTXSID
DTXSID80861893
ChEMBL
CHEMBL356362
ChEBI
CHEBI:16584
UNII
LSC8849M7B
Nikkaji
J38.556E

물성

구조 계산 물성

XLogP
-0.9
극성 표면적
113 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
14

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C5 isoprenoids (hemiterpenes) [PR0101]
Physical DescriptionSolid
Collision Cross Section141.71 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

끓는 점
417 · 417.0±38.0 °C(Predicted)
밀도
1.542 · 1.542±0.06 g/cm3(Predicted)
저장 조건
20 °C · −20°C
산도 계수 (pKa)
1.08 · 1.08±0.50(Predicted)

안전 및 규제

안전 데이터

ridadr
UN 1230 3/PG 2
risk_code
10-23/24/25-39/23/24/25
hazard_code
T
safety_code
7-16-36/37-45

화학 및 산업

약리 정보

Tissue LocationsSpleen
Cellular LocationsPeroxisome
Metabolite PathwaysAlendronate Action Pathway

상·하류 제품 정보

공급사14 곳

广州佳途科技股份有限公司81960175 18933936954 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海心语生物科技有限公司13301728348 · [email protected]

추가 설명

정의ChEBI: A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.

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