(3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol

• ChemBase编号: 125904
• 分子式: C5H10O5
• 平均质量: 150.1299
• 单一同位素质量: 150.05282342
• SMILES: O[C@]1(CO)COC(O)[C@@H]1O
• Canonical SMILES: OC[C@@]1(O)COC([C@@H]1O)O
• InChI: InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4?,5+/m0/s1
• InChIKey: ASNHGEVAWNWCRQ-LJJLCWGRSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
• IUPAC传统名: apiose
• 别名: D-Apiose; 3-C-Hydroxymethyl-D-glycero-tetrose; D-Apiose solution; D-apiose; 3-C-(hydroxymethyl)-D-glycerotetrose; apio-β-D-furanosyl; Apiose

登记号

• CAS号: 639-97-4
• MDL号: MFCD08459679
• PubChem SID: 162220248
• PubChem CID: 12306753; 4658
• Chemspider ID: 16735670
• 维基百科标题: Apiose

理论计算性质

• Acid pKa: 11.235591
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -2.4382033
• LogD (pH = 7.4): -2.438266
• Log P: -2.4382026
• 摩尔折射率: 30.1803 cm^3
• 极化性: 12.6405 Å^3
• 极化表面积: 90.15 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (HPLC)
• 浓度: 100-1000 mM in H2O
• Empirical Formula (Hill Notation): C5H10O5

详细说明

Sigma Aldrich - 41239

包装
Pack size based on mg solid
Application
D-Apiose, a plant-specific branched-chain monosaccharide found in rhamnogalacturonan II (RG-II), apiogalacturonan, and several apioglycosides, serves as a borate binding site for crosslinking of galacturonans within plant cell walls.