基本情報
- CAS
101191-83-7- 標準SMILES
CCC(=O)OC(C(C)C(=O)O)C(C)C1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(O)(COC(=O)Nc6ccccc6)C(C)CC5C)CC4C)O3)O2)CC(O)C1C- InChIKey
UCILZFARCSTHAF-UHFFFAOYSA-N- 分子式
- C44H67NO13
- 平均分子量
- 818 g/mol
- 単同位体質量
- 817.46124119
概要
semi-synthetic polyether antibiotic; structure given in first source
名称と識別子
- 優先名称
- Laidlomycin phenylcarbamate
- IUPAC
- 4-[7-hydroxy-2-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymethyl)oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
- 英語名
- 4-[9-hydroxy-2-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymeth yl)oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl -1,6-dioxaspiro[4.5]dec-7-yl]-2-methyl-3-propanoyloxy-pentanoic acid
- 分子式
- C44H67NO13
- 分子量
- 818
名称と別名
Laidlomycin phenylcarbamate101191-83-7RefChem:1521394-[7-hydroxy-2-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymethyl)oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acidMonensin,16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-, 26-(phenylcarbamate)(9CI)orb1702113DTXSID00905965UCILZFARCSTHAF-UHFFFAOYSA-NAKOS040746981T256034-{9-Hydroxy-2-[5'-(6-hydroxy-6-{[hydroxy(phenylimino)methoxy]methyl}-3,5-dimethyloxan-2-yl)-2,3'-dimethyl[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-2-methyl-3-(propanoyloxy)pentanoic acidMonensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-, 26-(phenylcarbamate) (9CI)
名称をさらに表示
4-[9-hydroxy-2-[5-[5-[6-hydroxy-3,5-dimethyl-6-(phenylcarbamoyloxymeth yl)oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl -1,6-dioxaspiro[4.5]dec-7-yl]-2-methyl-3-propanoyloxy-pentanoic acid
データベース識別子
- CAS
101191-83-7- PubChem CID
- 127776
- DTXSID
DTXSID00905965
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 189 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 13
- 回転可能結合数
- 14
- 重原子数
- 58
- 形式電荷
- 0
- 複雑度
- 1,460
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