neomycin C sulfate
基本情報
- CAS
1215860-56-2- 標準SMILES
NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
KWBUARAINLGYMG-OTNOZWHFSA-N- 分子式
- C23H52N6O25S3
- 平均分子量
- 908.9 g/mol
- 単同位体質量
- 908.21442469
名称と識別子
- 優先名称
- neomycin C sulfate
- IUPAC
- (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid
名称と別名
Neomycin C sulfate88L7V8H11UUNII-88L7V8H11UNEOMYCIN C SULPHATE1215860-56-2NEOMYCIN C, SULFATE (SALT)D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->3)-O-beta-d-ribofuranosyl-(1->5)-O-(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl-(1->4))-2-deoxy-, sulfate (1:3)CHEBI:53637D-STREPTAMINE, O-2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-RIBOFURANOSYL-(1->5)-O-(2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4))-2-DEOXY-, SULFATE (1:3)RefChem:165308(1R,2R,3S,4R,6S)-4,6-diamino-2-((3-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl)oxy)-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate
名称をさらに表示
DTXSID70153310KWBUARAINLGYMG-OTNOZWHFSA-NNeomycin C, sulfate (1:3) (salt)Sulfuric acid--(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside (3/1)
物性
構造計算による物性
- 極性表面積
- 602 Ų
- 水素結合供与体数
- 19
- 水素結合受容体数
- 31
- 回転可能結合数
- 9
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 953
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