(2S,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride

• ChemBase编号: 135258
• 分子式: C6H14ClNO5
• 平均质量: 216.6254689
• 单一同位素质量: 216.05308513
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[15NH2])O)O)O.Cl
• Canonical SMILES: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)[15NH2].Cl
• InChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6+;/m1./s1/i7+1
• InChIKey: QKPLRMLTKYXDST-GHYLIYMMSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
• IUPAC传统名: α-D-glucosamine hydrochloride
• 别名: D葡糖胺-15N 盐酸盐; D-Glucosamine-15N hydrochloride

登记号

• PubChem SID: 162229533
• PubChem CID: 71309182

理论计算性质

• Acid pKa: 11.726975
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -5.5965767
• LogD (pH = 7.4): -3.9292529
• Log P: -3.039421
• 摩尔折射率: 37.5809 cm^3
• 极化性: 15.959335 Å^3
• 极化表面积: 116.17 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 比旋光度: [α]20/D +72°, c = 1 in H2O
• 质量偏移: M+1

安全信息

• 德国WGK号: 3

产品相关信息

• 同位素纯度: 98 atom % 15N
• Mol. Weight: mol wt 216.63 by atom % calculation
• Empirical Formula (Hill Notation): C6H1315NO5 · HCl

详细说明

Sigma Aldrich - 609285

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.