(3R,4R,5R)-(2,3-13C2)oxane-2,3,4,5-tetrol

• ChemBase编号: 135191
• 分子式: C5H10O5
• 平均质量: 152.11520968
• 单一同位素质量: 152.0595331
• SMILES: C1[C@H]([C@H]([13C@H]([13CH](O1)O)O)O)O
• Canonical SMILES: O[C@@H]1CO[13CH]([13C@@H]([C@@H]1O)O)O
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5?/m1/s1/i4+1,5+1
• InChIKey: SRBFZHDQGSBBOR-QWNVQCSHSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4R,5R)-(2,3-^1^3C₂)oxane-2,3,4,5-tetrol
• IUPAC传统名: (3R,4R,5R)-(2,3-^1^3C₂)oxane-2,3,4,5-tetrol
• 别名: D-核糖-1,2-13C2; D-Ribose-1,2-13C2

登记号

• MDL号: MFCD08459961
• PubChem SID: 162229466
• PubChem CID: 71309141

理论计算性质

• Acid pKa: 11.310624
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022575
• Log P: -2.3022044
• 摩尔折射率: 29.9609 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: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 88-92 °C (dec.)(lit.)
• 比旋光度: [α]20/D -20, c = 4 in H2O
• 质量偏移: M+2

产品相关信息

• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 152.10 by atom % calculation
• Empirical Formula (Hill Notation): 13C2C3H10O5

详细说明

Sigma Aldrich - 605476

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.