4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride

• ChemBase编号: 104319
• 分子式: C7H16ClNO3
• 平均质量: 197.65984
• 单一同位素质量: 197.08187106
• SMILES: Cl.COC1CC(N)C(O)C(C)O1
• Canonical SMILES: COC1CC(N)C(C(O1)C)O.Cl
• InChI: InChI=1S/C7H15NO3.ClH/c1-4-7(9)5(8)3-6(10-2)11-4;/h4-7,9H,3,8H2,1-2H3;1H
• InChIKey: JVYGBUAXDCLPMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
• IUPAC传统名: 4-amino-6-methoxy-2-methyloxan-3-ol hydrochloride
• 别名: Daunosamine β-methyl glycoside; Methyl β-L-daunosaminide hydrochloride; Acosamine methyl glycoside; METHYL-L-ACOSAMINIDE; Daunosamine β-methyl glycoside; METHYL-β-L-DAUNOSAMINIDE

登记号

• CAS号: 115388-97-1; 54623-24-4
• MDL号: MFCD00270034
• PubChem SID: 24896708; 162091524
• PubChem CID: 16219632

理论计算性质

• Acid pKa: 13.615076
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.4501855
• LogD (pH = 7.4): -2.6381607
• Log P: -0.44874647
• 摩尔折射率: 39.2777 cm^3
• 极化性: 16.46614 Å^3
• 极化表面积: 64.71 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

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 杂质: ≤10% inorganic salts

详细说明

MP Biomedicals - 02155510

(Daunosamine β-methyl glycoside) Hydrochloride May contain up to 10% inorganic salts.

MP Biomedicals - 02155457

(Acosamine methyl glycoside) Hydrochloride