Gentamicin C1

HCID 72395CAS 25876-10-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)NC)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
InChIKey: CEAZRRDELHUEMR-CAMVTXANSA-N
분자식: C21H43N5O7
평균 분자량: 477.6 g/mol
단동위원소 질량: 477.31624872

개요

gentamicin C1 has been reported in Liquidambar formosana with data available.

이름 및 식별자

우선 이름: Gentamicin C1
IUPAC: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
영어명: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-methylaminoethyl]oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
분자식: C21H43N5O7
분자량: 477.6

이름 및 동의어

Gentamicin C125876-10-2I904Y9FPPVDTXSID9023091(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolCHEBI:27412(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((1R)-1-(methylamino)ethyl)oxan-2-yl)oxy-2-hydroxycyclohexyl)oxy-5-methyl-4-(methylamino)oxane-3,5-diol(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((1R)-1-(methylamino)ethyl)tetrahydropyran-2-yl)oxy-2-hydroxy-cyclohexoxy)-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolRefChem:142888DTXCID50819987Gentamicin C1 Pentaacetate Salt

이름 더 보기

gentamycin C1Gentamycin ImpurityGentamicin ImpurityGentamicin C1 sulfateGentamicin Impurity 1Gentamicin Impurity 11Gentamicin Solution C1,10ppmGentamycin Sulfate Impurity 6

AC1L2HZVUNII-I904Y9FPPVC21H43N5O751GGentamicin Impurity 14Gentamicin C1 pentaacetateGENTAMICIN C1 [MI]CHEMBL463809

데이터베이스 식별자

CAS: 25876-10-2
PubChem CID: 72395
DTXSID: DTXSID9023091
ChEMBL: CHEMBL463809
UNII: I904Y9FPPV
Nikkaji: J37.113K

물성

구조 계산 물성

XLogP: -4.1
극성 표면적: 200 Å²
수소 결합 공여자 수: 8
수소 결합 수용자 수: 12
회전 가능 결합 수: 7
무거운 원자 수: 33
형식 전하: 0
복잡도: 636

실험 및 물리화학적 성질

Collision Cross Section214.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]

물리화학적 성질

녹는점: 125 · 125-130°C
끓는 점: 669.4 · 669.4±55.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under Inert Atmosphere
용해도: 메탄올(약간 용해됨), 물(약간 용해됨, 초음파 처리)
산도 계수 (pKa): 13.29 · 13.29±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 노란색으로
안정성: 흡습성이 매우 높음

화학적 성질

Off-White Solid

화학 및 산업

응용 분야

용도Antibiotic complex consists of three closely related components, gentamicins C1, C2, C1a, and also Gentamicin A which differs from the other members of the complex but is similar to Kanamycin C. Antibacterial.