기본 정보
- CAS
95230-98-1- 표준 SMILES
N[C@H](CCCC(=O)N[C@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21)C(=O)O- InChIKey
RQPIYCBIFMMJEJ-KBOAJJQZSA-N- 분자식
- C15H20N4O8S
- 평균 분자량
- 416.4 g/mol
- 단동위원소 질량
- 416.10018478
개요
Chitinovorin C is a cephalosporin.
이름 및 식별자
- 우선 이름
- Chitinovorin C
- IUPAC
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 현지명
- 키티노보린C
- 영어명
- chitinovorin C
- 분자식
- C15H20N4O8S
- 분자량
- 416.41
이름 및 동의어
Chitinovorin CChitinovorin-C95230-98-1(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-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)-7-(formylamino)-3-(hydroxymethyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-(6R,7R)-7-(((5R)-5-amino-5-carboxypentanoyl)amino)-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:125234orb3024452SCHEMBL29557243DTXSID10915055CHEBI:224955HY-N14896
이름 더 보기
키티노보린C(6R)-7α-[[(R)-5-Amino-5-carboxy-1-oxopentyl]amino]-7β-formylamino-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-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-(formylamino)-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
TN10469(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-ormamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-{[(5R)-5-Amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-(hydroxymethyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
데이터베이스 식별자
- CAS
95230-98-1- PubChem CID
- 125271
- DTXSID
DTXSID10915055- ChEBI
CHEBI:224955- Nikkaji
- J39.672I
물성
구조 계산 물성
- XLogP
- -4.5
- 극성 표면적
- 225 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 끓는 점
- 983 · 983.0±65.0 °C(Predicted)
- 밀도
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.49 · 2.49±0.24(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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