(18O)water

• ChemBase编号: 134639
• 分子式: H2O
• 平均质量: 20.015041
• 单一同位素质量: 20.01481106
• SMILES: [18OH2]
• Canonical SMILES: [18OH2]
• InChI: InChI=1S/H2O/h1H2/i1+2
• InChIKey: XLYOFNOQVPJJNP-NJFSPNSNSA-N

名称和登记号

名称

• IUPAC标准名: (^1^8O)water
• IUPAC传统名: (^1^8O)water
• 别名: 重氧水;氧18水; 水-18O; 氘化水-18O; 重水-d2,18O; 氧化氘-18O; Heavy-oxygen water;Oxygen-18 water; Water-18O; Heavy water-d2,18O; Unnormalized water-18O; Deuterium oxide-18O

登记号

• CAS号: 14314-42-2
• MDL号: MFCD00064503; MFCD00145527
• PubChem SID: 24881831; 24860023; 24859818; 162228915; 24872241
• PubChem CID: 105142

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.); 3.8 °C(lit.)
• 沸点: 100 °C(lit.); 101.4 °C(lit.)
• 密度: 1.11 g/mL at 20 °C(lit.); 1.189 g/mL at 25 °C; 1.204 g/mL at 25 °C; 1.216 g/mL at 25 °C
• 质量偏移: M+2; M+4

安全信息

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

产品相关信息

• 级别: purum
• 同位素纯度: ~95 atom % 18O; 10 atom % 18O; 50 atom % 18O; 75 atom % 18O; 95 atom % 18O; 97 atom % 18O; 98 atom % D; 99 atom % 18O; 99 atom % D
• 简要说明: Normalized with respect to hydrogen
• 品质说明: ampule
• Mol. Weight: mol wt 18.70 by atom % calculation; mol wt 19.92 by atom % calculation; mol wt 19.96 by atom % calculation; mol wt 20.00 by atom % calculation; mol wt 20.99 by atom % calculation; mol wt 21.51 by atom % calculation; mol wt 21.91 by atom % calculation
• 线性分子式: D218O; H218O

详细说明

Sigma Aldrich - 608548

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 - 332089

包装
1, 5 g in ampule
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 - 329878

包装
1 g in serum btl
250 mg in serum btl
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 - 608572

包装
1 g in glass bottle
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 - 95278

包装
1g 样品瓶

Sigma Aldrich - 609757

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 - 487090

包装
1 g in serum btl
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.