데이터를 보충하는 중입니다. 보통 1분 이내에 완료됩니다
기본 정보
- CAS
105882-69-7- 표준 SMILES
CC[C@@H](O)[C@@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[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@@]2(C)CC(C)=C(O2)[C@@H]1C- InChIKey
NMIWBQUQCOMGHJ-FYFYGOHNSA-N- 분자식
- C37H65NO12
- 평균 분자량
- 715.9 g/mol
- 단동위원소 질량
- 715.45067652
개요
structure given in first source
이름 및 식별자
- 우선 이름
- LY 267108
- IUPAC
- (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one
이름 및 동의어
105882-69-7BX9Y83P7PBLY 267108LY-267108ly267108RefChem:925025Pseudoerythromycin A enol etherPseudo Erythromycin A Enol EtherUNII-BX9Y83P7PBErythromycin EP Impurity F(2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one(2R,3R,6R,7S,8S,9R,10R)-3-((2R,3R)-2,3-dihydroxypentan-2-yl)-9-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-7-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one
이름 더 보기
4,13-Dioxabicyclo(8.2.1)tridec-12-en-5-one, 7-((2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-3-(1,2-dihydroxy-1-methylbutyl)-2,6,8,10,12-pentamethyl-9-((3,4,6-trideoxy-3-(dimethylaminoo)beta-D-xylo-hexopyranosyl)oxy)-, (2R-(2R*,3R*(1R*,2R*),6R*,7S,8S*,9R*,10R*))-orb1692938SCHEMBL30039836NMIWBQUQCOMGHJ-FYFYGOHNSA-NEM701EM-701HY-112057CS-0043200
데이터베이스 식별자
- CAS
105882-69-7- PubChem CID
- 9875064
- DTXSID
DTXSID101382587- UNII
- BX9Y83P7PB
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,220
관련 반응
6건
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