beta-D-Ribofuranose, 1-acetate 2,3,5-tribenzoate

HCID 81455CAS 6974-32-9

基本情報

標準SMILES: CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
InChIKey: GCZABPLTDYVJMP-CBUXHAPBSA-N
分子式: C28H24O9
平均分子量: 504.5 g/mol
単同位体質量: 504.14203235

名称と識別子

優先名称: beta-D-Ribofuranose, 1-acetate 2,3,5-tribenzoate
IUPAC: [(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

名称と別名

6974-32-91-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose.beta.-D-Ribofuranose, 1-acetate 2,3,5-tribenzoateEINECS 230-220-4NSC 23349beta-D-Ribofuranose, 1-acetate 2,3,5-tribenzoateDTXSID408843461-Acetyl-2,3,5-tribenzoyl-beta-D-ribofuranoseAcetyl-tribenzoyl-.beta.-d-ribofuranose1-Acetyl-2,3,5-tribenzoyl-.beta.-D-ribofuranose1-O-Acetyl-2,3,5-O-benzoyl-.beta.-d-ribofuranose1-O-Acetyl-2,3,5-tri-O-benzoyl-.beta.-D-ribofuranose

名称をさらに表示

1-O-Acetyl-2,3,5-tri-O-benzyl-.beta.-D-ribofuranoseRefChem:119334DTXCID901023793Acetyl-tribenzoyl-beta-d-ribofuranose1-O-Acetyl-2,3,5-O-benzoyl-beta-d-ribofuranose1-O-Acetyl-2,3,5-tri-O-benzyl-beta-D-ribofuranose230-220-4GCZABPLTDYVJMP-CBUXHAPBSA-N

データベース識別子

CAS: 6974-32-9
PubChem CID: 81455
DTXSID: DTXSID40884346
UNII: UL5PL2ZUD2
EC Number: 230-220-4
Nikkaji: J239I

物性

構造計算による物性

XLogP: 5.6
極性表面積: 114 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 12
重原子数: 37
形式電荷: 0
複雑度: 793

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information.beta.-D-Ribofuranose, 1-acetate 2,3,5-tribenzoate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified