기본 정보
- CAS
99979-59-6- 표준 SMILES
O=C(COP(=O)(O)O)Cc1cnc[nH]1- InChIKey
YCFFMSOLUMRAMD-UHFFFAOYSA-N- 분자식
- C6H9N2O5P
- 평균 분자량
- 220.12 g/mol
개요
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate is a member of imidazoles and an oxoalkyl phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-).
이름 및 식별자
- 우선 이름
- Imidazole acetol-phosphate
- IUPAC
- [3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate
이름 및 동의어
Imidazole acetol phosphate99979-59-63-(imidazol-4-yl)-2-oxopropyl phosphateimidazole acetol-phosphate3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphateCHEBI:16426[3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid[3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate1-(1H-imidazol-4-yl)-3-(phosphonooxy)-2-propanone1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone(3-(1H-imidazol-4-yl)-2-oxopropoxy)phosphonic acid(3-(1H-imidazol-5-yl)-2-oxopropyl) dihydrogen phosphate
이름 더 보기
RefChem:147975Imidazole acetol-phosphoric acidImidazole-acetol phosphoric acid3-(Imidazol-4-yl)-2-oxopropyl phosphoric acid3-(1h-imidazol-5-yl)-2-oxopropyl dihydrogen phosphateImidazole-acetol phosphateimidazole acetol-P3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
데이터베이스 식별자
- CAS
99979-59-6- PubChem CID
- 792
- ChEBI
CHEBI:16426- UNII
- VSR6VJ2DT6
- Nikkaji
- J670.555C
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 253
실험 및 물리화학적 성질
Physical DescriptionSolid
관련 반응
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