4-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
基本情報
- CAS
57467-16-0- 標準SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O- InChIKey
VNGNSGLTOYLOTI-LFSUROOISA-N- 分子式
- C20H28N2O13
- 平均分子量
- 504.4 g/mol
- 単同位体質量
- 504.15913895
概要
structure
名称と識別子
- 優先名称
- 4-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
名称と別名
57467-16-04-Nitrophenyl-2-acetamido-2-deoxy-6-O-beta-D-galactopyranosyl-beta-D-glucopyranosidebeta-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-para-Nitrophenyl-2-acetamido-2-deoxy-6-O-beta-D-galactopyranosyl-beta-D-glucopyranosideRefChem:9127224-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-beta-D-glucopyranosideDTXSID809729934-Nitrophenyl 2-deoxy-6-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranoside4-Nitrophenyl-2-acetamido-2-deoxy-6-O-beta-D- galactopyranosyl-beta-D-glucopyranoside4-Nitrophenyl 2-deoxy-6-O-beta-D-galactopyranosyl-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranoside
データベース識別子
- CAS
57467-16-0- PubChem CID
- 191449
- DTXSID
DTXSID80972993- Nikkaji
- J1.276.707B
物性
構造計算による物性
- XLogP
- -2.6
- 極性表面積
- 233 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 13
- 回転可能結合数
- 7
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 716
関連反応
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