(17O)water

• ChemBase编号: 134867
• 分子式: H2O
• 平均质量: 19.0150117
• 单一同位素质量: 19.01478176
• SMILES: [17OH2]
• Canonical SMILES: [17OH2]
• InChI: InChI=1S/H2O/h1H2/i1+1
• InChIKey: XLYOFNOQVPJJNP-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (^1^7O)water
• IUPAC传统名: (^1^7O)water
• 别名: 水-17O; 17O Labeled water; Water-17O

登记号

• CAS号: 13768-40-6
• MDL号: MFCD00075418
• PubChem SID: 162229143
• PubChem CID: 10197601

理论计算性质

• Acid pKa: 15.7
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• 摩尔折射率: 3.7 cm^3
• 极化性: 1.4714895 Å^3
• 极化表面积: 25.3 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: 0 °C(lit.)
• 沸点: 100 °C(lit.)
• 密度: 1.044 g/mL at 25 °C
• 质量偏移: M+1

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 同位素纯度: 20-24.9 atom % 17O; 25-29.9 atom % 17O; 35-39.9 atom % 17O; 40-44.9 atom % 17O; 45-49.9 atom % 17O; 75-80.9 atom % 17O; 80-84.9 atom % 17O; 90 atom % 17O
• Mol. Weight: mol wt 18.21 by atom % calculation; mol wt 18.27 by atom % calculation; mol wt 18.37 by atom % calculation; mol wt 18.42 by atom % calculation; mol wt 18.47 by atom % calculation; mol wt 18.77 by atom % calculation; mol wt 18.82 by atom % calculation; mol wt 18.88 by atom % calculation
• 堆密度: 1.01
• 线性分子式: H217O

详细说明

Sigma Aldrich - 609862

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.

Sigma Aldrich - 603007

General description
（相对于氢进行归一化）
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.

Sigma Aldrich - 603031

General description
（相对于氢进行归一化）
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.

Sigma Aldrich - 618535

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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.

Sigma Aldrich - 602965

General description
（相对于氢进行归一化）
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.

Sigma Aldrich - 602949

General description
（相对于氢进行归一化）
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.

Sigma Aldrich - 603066

General description
（相对于氢进行归一化）
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.

Sigma Aldrich - 603023

General description
（相对于氢进行归一化）
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.