기본 정보
- CAS
68567-60-2- 표준 SMILES
CO[C@@H]1[C@H](C)[C@H]([C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@H]5O[C@](O)([C@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@H]5C)O4)O3)O2)O[C@H]1[C@H]1O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C- InChIKey
BKZOUCVNTCLNFF-SQGGLTFESA-N- 분자식
- C44H76O14
- 평균 분자량
- 829.1 g/mol
- 단동위원소 질량
- 828.52350709
이름 및 식별자
- 우선 이름
- Unii-4L3272BH2X
- IUPAC
- (2S)-2-[(2S,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
- 현지명
- (3S)-로노마이신A
- 영어명
- (3S)-Lonomycin A
- 분자식
- C44H76O14
- 분자량
- 829.07
이름 및 동의어
68567-60-2UNII-4L3272BH2X(2S)-2-[(2S,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acidorb1696378SCHEMBL30049062DTXSID901384587AKOS040752667(S)-2-((2S,3R,4S,5R,6S)-2-hydroxy-6-((S)-1-((2S,5R,7S,8R,9S)-2-((2S,2'R,3'S,4'R,5R,5'R)-5'-((2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-4'-methoxy-2,3'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-9-methoxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-4-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl)propanoic acidT32865Q27259953(3S)-로노마이신ALonomycin B
이름 더 보기
(3S)-Lonomycin A
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,450
물리화학적 성질
- 끓는 점
- 820.848 · 820.848±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.199 · 1.199±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.391 · 4.391±0.10(predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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