基本情報
- 標準SMILES
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O- InChIKey
CZMRCDWAGMRECN-UHFFFAOYSA-N- 分子式
- C12H22O11
- 平均分子量
- 342.3 g/mol
- 単同位体質量
- 342.11621152
概要
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is a glycoside.
名称と識別子
- 優先名称
- Hex-2-ulofuranosyl hexopyranoside
- IUPAC
- 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称と別名
Hex-2-ulofuranosyl hexopyranoside2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol2-(3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolGlyTouCan:G70561XMRefChem:1048311CHEBI:87442G70561XM1192061-43-0.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosylBETA-D-FRUCTOFURANOSYL-ALPHA-D-GALACTOPYRANOSIDE3h-sucrosealpha-D-Glc-(1-->2)-beta-D-Fru
名称をさらに表示
13322-96-82-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolZuckerSucrose,ultrapureb-D-Fructofuranosyl-a-D-galactopyranoside(.alpha.-D-Glucosido)-.beta.-D-fructofuranoside.alpha.-D-Glucopyranosyl .beta.-D-fructofuranoside.beta.-D-Fructofuranoside, .alpha.-D-glucopyranosyl
データベース識別子
- CAS
57-50-1- PubChem CID
- 1115
- DTXSID
DTXSID301355853- ChEBI
CHEBI:193884
物性
構造計算による物性
- XLogP
- -3.7
- 極性表面積
- 190 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 395
実験および物理化学的性質
Collision Cross Section172.1 Ų [M+Na-H2O]+ [CCS Type: DT; Method: stepped-field]
関連反応
12 件
関連ノート
読み込み中…