CAS 28022-11-9 Megalomicin A (HCID 31864)

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기본 정보

CAS: 28022-11-9
표준 SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey: LRWRQTMTYVZKQW-WWDNQWNISA-N
분자식: C44H80N2O15
평균 분자량: 877.1 g/mol
단동위원소 질량: 876.55586985

개요

Megalomicin A is an amino oligosaccharide.

이름 및 식별자

우선 이름: Megalomicin A
IUPAC: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

이름 및 동의어

Megalomicin AMegalomicin28022-11-9TJB59Q46Z0Sch 13430SCH-13430(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneDTXSID801043411(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-7-((2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneRefChem:156263DTXCID501526438Megalomicina

이름 더 보기

MegalomicineMegalomicin [INN]Antibiotic XK 41CAntibiotic W-847-AMegalomicinumMegalomycin-AMegalomicine [INN-French]Megalomicinum [INN-Latin]

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 227 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 17
회전 가능 결합 수: 9
무거운 원자 수: 61
형식 전하: 0
복잡도: 1,460

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

LipidsPolyketides [PK] -> Macrolides and lactone polyketides [PK04]

화합물 노트

불러오는 중…

Megalomicin A