sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate

• ChemBase编号: 153872
• 分子式: C6H11NaO9S
• 平均质量: 282.20091
• 单一同位素质量: 282.00214721
• SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OS(=O)(=O)[O-].[Na+]
• Canonical SMILES: OC1O[C@H](COS(=O)(=O)[O-])[C@H]([C@@H]([C@@H]1O)O)O.[Na+]
• InChI: InChI=1S/C6H12O9S.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H,11,12,13);/q;+1/p-1/t2-,3-,4+,5+,6?;/m1./s1
• InChIKey: MKFZWUBBFWXXKZ-XXIBIAAKSA-M

名称和登记号

名称

• IUPAC标准名: sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate
• IUPAC传统名: sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate
• 别名: D-Mannose 6-sulfate sodium salt 钠盐; Man-6S; D-Mannose 6-sulfate sodium salt

登记号

• CAS号: 204575-08-6
• MDL号: MFCD03410302
• PubChem SID: 162248011
• PubChem CID: 71311744

理论计算性质

• Acid pKa: -1.9926805
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -5.2539496
• LogD (pH = 7.4): -5.254007
• Log P: -4.725711
• 摩尔折射率: 44.7935 cm^3
• 极化性: 20.060457 Å^3
• 极化表面积: 156.58 Å^2
• 可自由旋转的化学键: 3
• 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, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (TLC)
• Empirical Formula (Hill Notation): C6H11NaO9S

详细说明

Sigma Aldrich - 14652

Application
D-Mannose 6-sulfate (Man-6S) occurs in some N-glycans that occur on proteins such as Dictyostelium discoideum cathepsin D and various lysosomal enzymes. Mannose 6-sulfate can be used as a reference material in the chemical analysis of Man-6S glycans.