基本情報
- CAS
10225-46-4- 標準SMILES
CC1OC(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)C(OC2OC(CO)C(O)C(O)C2N(C)C=N)C1(O)CO- InChIKey
NILIZBVATKKSNN-UHFFFAOYSA-N- 分子式
- C22H42N8O12
- 平均分子量
- 610.6 g/mol
- 単同位体質量
- 610.2922188
名称と識別子
- 優先名称
- N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide
- IUPAC
- N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide
名称と別名
10225-46-4NSC 18702STREPOMYCIN, FORMIMIDOYLDIHYDRO, SESQUISULFATE SALTGuanidine, N,N'''-(4-((5-deoxy-2-O-(2-deoxy-2-((iminomethyl)methylamino)hexopyranosyl)-3-C-(hydroxymethyl)pentofuranosyl)oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl)bis-, sulfate (1:2) (salt)Guanidine, N,N'''-[4-[[5-deoxy-2-O-[2-deoxy-2-[(iminomethyl)methylamino]hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, sulfate (1:2) (salt)N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamideN-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide;sulfuric acidN-[2-[2-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-N-methyl-formamidine
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- -8.1
- 極性表面積
- 355 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 15
- 回転可能結合数
- 10
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 989
関連反応
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