蒜糖醇

Allitol

HCID 120700CAS 488-44-8

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基本信息

标准SMILES: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
InChIKey: FBPFZTCFMRRESA-FBXFSONDSA-N
分子式: C6H14O6
平均分子量: 182.17 g/mol
单同位素质量: 182.07903817

概述

Allitol is a hexitol.

名称与标识

首选名称: Allitol
IUPAC: (2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol
中文名: 蒜糖醇
英文名: ALLITOL
分子式: C6H14O6
分子量: 182.17

名称与别名

Allitol488-44-8AllodulcitolAllodulcit(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexolB3F996O6JUDTXSID60197607RefChem:110779GlyTouCan:G00386TYDTXCID80120098G00386TYd-allitol

展开更多名称

糖蒜醇阿洛醇蒜糖醇蒜糖醇标准品D-[1-13C]蒜糖醇REL-(2R,3R,4S,5S)-己烷-1,2,3,4,5,6-六醇Allitol >Allitol ,98%Allitol (Standard)(2S,3S,4R,5R)-Hexane-1,2,3,4,5,6-hexaolrel-(2R,3R,4S,5S)-Hexane-1,2,3,4,5,6-hexaol

L-AllitolMFCD11519461ALLITAllitol, >=98%UNII-B3F996O6JUSCHEMBL15545455CHEBI:181263(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexaol

数据库标识

CAS: 488-44-8
PubChem CID: 120700
DTXSID: DTXSID60197607
ChEBI: CHEBI:181263
UNII: B3F996O6JU
Nikkaji: J12.559H

性质

结构计算性质

XLogP: -3.1
极性表面积: 121 Å²
氢键供体: 6
氢键受体: 6
可旋转键: 5
重原子: 12
形式电荷: 0
复杂度: 105

实验与物化性质

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesCrystal structure

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

物理化学性质

熔点: 152 °C · 152 °C
沸点: 494.9 · 494.9±0.0 °C(Predicted)
密度: 1.596 · 1.596±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
酸度系数(pKa): 13.14 · 13.14±0.20(Predicted)
形态: powder to crystal
颜色: White to Almost white

安全与法规

危害信息

Hazards SummaryIntravenous LD50 (rat) = 20.6 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

安全数据

RTECS号: BA1840000
海关编码: 29054990

化学与工业

用途与制造

Uses · 1 条

Allitol, a water retentive rare sugar alcohol, may be used as a monosaccharide laxative. Allitol may be used as a reference compound during separation and analysis of hexitols such as galactitol, iditol, altritols, sorbitol and mannitol. [Sigma-Aldrich]