CAS 21193-75-9 D-Galactal (HCID 2734735)

部分構造検索類似構造を探す

基本情報

CAS: 21193-75-9
標準SMILES: OC[C@H]1OC=C[C@@H](O)[C@H]1O
InChIKey: YVECGMZCTULTIS-HSUXUTPPSA-N
分子式: C6H10O4
平均分子量: 146.14 g/mol
単同位体質量: 146.0579088

概要

D-galactal is a glycal derived from D-galactopyranose. It is an anhydrohexose and a glycal.

名称と識別子

優先名称: D-Galactal
IUPAC: (2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
英語名: galactal
分子式: C6H10O4
分子量: 146.14

名称と別名

d-Galactal2,6-anhydro-5-deoxy-D-arabino-hex-5-enitolCHEBI:63139RefChem:14212321193-75-9Galactal(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol29485-85-6arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-1,5-Anhydro-2-deoxy-D-lyxo-hex-1-enitolMFCD00038067D-(+)-galactal

名称をさらに表示

D-Galactal, 95%CHEMBL2115530DTXSID20183687BDBM50572245HY-W047710AS-19366PD195178CS-0099601

データベース識別子

CAS: 21193-75-9、29485-85-6
PubChem CID: 2734735
DTXSID: DTXSID20183687
ChEMBL: CHEMBL2115530
ChEBI: CHEBI:63139
EC Number: 244-264-7
Nikkaji: J1.675.784E、J382.393H

物性

構造計算による物性

XLogP: -1
極性表面積: 69.9 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 134

物理化学的性質

融点: 100 °C · 100 °C
沸点: 325.5 · 325.5±42.0 °C(Predicted)
比重(密度): 1.414 · 1.414±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.79 · 12.79±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (14.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.