beta-D-Galactose pentaacetate

HCID 94752CAS 4163-60-4

基本情報

標準SMILES: CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey: LPTITAGPBXDDGR-LYYZXLFJSA-N
分子式: C16H22O11
平均分子量: 390.34 g/mol
単同位体質量: 390.11621152

名称と識別子

優先名称: beta-D-Galactose pentaacetate
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate

名称と別名

beta-D-Galactose pentaacetate4163-60-41,2,3,4,6-Penta-O-acetyl-beta-D-galactopyranoseDTXSID20883736beta-Penta-O-acetyl-D-galactopyranose1,2,3,4,6-penta-o-acetylgalactopyranosebeta-D-Galactopyranose, 1,2,3,4,6-pentaacetateRefChem:410470DTXCID101023232224-008-0b-d-Galactose pentaacetatePenta-O-acetyl-beta-D-galactopyranose

名称をさらに表示

beta-D-Galactopyranose pentaacetate[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetateMFCD00063259NSC 1353(2S,3R,4S,5S,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate.beta.-D-Galactopyranose, pentaacetateNSC 119334ss-D-galactose pentaacetate

データベース識別子

CAS: 4163-60-4
PubChem CID: 94752
DTXSID: DTXSID20883736
EC Number: 224-008-0
Nikkaji: J109.350I

物性

構造計算による物性

XLogP: 0.6
極性表面積: 141 Å²
水素結合供与体数: 0
水素結合受容体数: 11
回転可能結合数: 11
重原子数: 27
形式電荷: 0
複雑度: 599

実験および物理化学的性質

SpringerMaterials PropertiesDensity

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.