기본 정보
- 표준 SMILES
N[C@H](CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12)C(=O)O- InChIKey
XWCFYHBHOFBVIV-JWKOBGCHSA-N- 분자식
- C14H19N3O7S
- 평균 분자량
- 373.38 g/mol
- 단동위원소 질량
- 373.09437095
개요
Deacetylcephalosporin C is a 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position. It is a conjugate acid of a deacetylcephalosporin C(1-).
이름 및 식별자
- 우선 이름
- Deacetylcephalosporin C
- IUPAC
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 현지명
- 데아세틸세팔로스포린C
- 영어명
- deacetylcephalosporin C
- 분자식
- C14H19N3O7S
- 분자량
- 373.38
이름 및 동의어
Deacetylcephalosporin C1476-46-6CHEBI:18065(6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(((5R)-5-amino-5-carboxypentanoyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:1310805-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(hydroxymethyl)-8-oxo, (6R-(6 alpha,7 beta(R*)))-(6R,7R)-7-((R)-5-amino-5-carboxypentanamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid1476-46-6 (free acid)Epitope ID:2060756SCHEMBL11534966
이름 더 보기
데아세틸세팔로스포린CWS-3442EAntibiotic WS-3442EDeacetylated impurityCefmenoxime Impurity 37Desacetylcephalosporin CCephalosporin Impurity 2Cefathiamidine Impurity 23Cefuroxime Impurity 7 Disodium SaltDesacetyl Cephalosporin C Disodium Salt
DTXSID50933157XWCFYHBHOFBVIV-JWKOBGCHSA-N5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3-(hydroxymethyl)-8-oxo-,(6R,7R)-C03112Q27102799(6R,7R)-7-{[(5R)-5-Amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(hydroxymethyl)-8-oxo, (6R-(6alpha,7beta(R*)))-7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
데이터베이스 식별자
- CAS
1476-46-6- PubChem CID
- 160577
- DTXSID
DTXSID50933157- ChEBI
CHEBI:18065- Nikkaji
- J91.970E
물성
구조 계산 물성
- XLogP
- -5
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 636
화학 및 산업
상·하류 제품 정보
하류 제품
공급사13 곳
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