基本情報
- CAS
100759-54-4- 標準SMILES
CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O- InChIKey
XIKSUQAETDPAAY-UHFFFAOYSA-N- 分子式
- C33H59N7O22
- 平均分子量
- 905.9 g/mol
- 単同位体質量
- 905.37131654
概要
6'''-O-Mannopyranosyl mannosidostreptomycin has been reported in Streptomyces sioyaensis with data available.
名称と識別子
- 優先名称
- 6'''-O-Mannopyranosyl mannosidostreptomycin
- IUPAC
- 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
名称と別名
6'''-O-Mannopyranosyl mannosidostreptomycin100759-54-46'''-Mpms2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine2-(3-(diaminomethylideneamino)-4-(4-formyl-4-hydroxy-3-(4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidineRefChem:103611DTXSID00905728N,N'-(4-{[Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
データベース識別子
- CAS
100759-54-4- PubChem CID
- 196357
- DTXSID
DTXSID00905728
物性
構造計算による物性
- XLogP
- -12.3
- 極性表面積
- 495 Ų
- 水素結合供与体数
- 18
- 水素結合受容体数
- 25
- 回転可能結合数
- 15
- 重原子数
- 62
- 形式電荷
- 0
- 複雑度
- 1,540
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…