글루타릴-7-아미노세팔로스포란산

Glutaryl-7-aminocephalosporanic acid

HCID 446570CAS 27920-90-7

기본 정보

표준 SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCCC(=O)O)[C@H]2SC1
InChIKey
IXUSDMGLUJZNFO-BXUZGUMPSA-N
분자식
C15H18N2O8S
평균 분자량
386.4 g/mol
단동위원소 질량
386.07838654

개요

(7R)-7-(4-carboxybutanamido)cephalosporanic acid is a cephalosporin. It is functionally related to a cephalosporanic acid. It is a conjugate acid of a (7R)-7-(4-carboxylatobutanamido)cephalosporanate.

이름 및 식별자

우선 이름
Glutaryl-7-aminocephalosporanic acid
IUPAC
(6R,7R)-3-(acetyloxymethyl)-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
현지명
글루타릴-7-아미노세팔로스포란산
영어명
glutaryl-7-aminocephalosporanic acid
분자식
C15H18N2O8S
분자량
386.38

이름 및 동의어

Glutaryl-7-acaGlutaryl-7-aminocephalosporanic acidGl-7-Aca27920-90-7DTXSID40182197(6R,7R)-3-(acetyloxymethyl)-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetyloxymethyl)-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:922314DTXCID501046887-Glutarylaminocephalosporanate7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID(7R)-7-(4-Carboxybutanamido)cephalosporanate
이름 더 보기
글루타릴-7-아미노세팔로스포란산5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(4-carboxy-1-oxobutyl)amino]-8-oxo-, (6R,7R)-
(7R)-7-(4-carboxybutanamido)cephalosporanic acid(6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxybutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-(Acetoxymethyl)-7-(4-carboxybutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidglutaryl-7ACAGlutaryl 7ACAglutaryl 7-ACACefuroxime Impurity C95

데이터베이스 식별자

CAS
27920-90-7
PubChem CID
446570
DTXSID
DTXSID40182197
ChEBI
CHEBI:41425
Nikkaji
J431.584G

물성

구조 계산 물성

XLogP
-1.7
극성 표면적
176 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
26

물리화학적 성질

끓는 점
803.3 · 803.3±65.0 °C(Predicted)
밀도
1.56 · 1.56±0.1 g/cm3(Predicted)
산도 계수 (pKa)
2.68 · 2.68±0.50(Predicted)

화학 및 산업

공급사3 곳

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]

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