(17O)water

• ChemBase ID: 134867
• Molecular Formular: H2O
• Molecular Mass: 19.0150117
• Monoisotopic Mass: 19.01478176
• SMILES: [17OH2]
• Canonical SMILES: [17OH2]
• InChI: InChI=1S/H2O/h1H2/i1+1
• InChIKey: XLYOFNOQVPJJNP-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^7O)water
• IUPAC Traditional name: (^1^7O)water
• Synonyms: 17O Labeled water; Water-17O; 水-17O

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 0 °C(lit.)
• Boiling Point: 100 °C(lit.)
• Density: 1.044 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Isotopic Purity: 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
• Bulk Density: 1.01
• Linear Formula: H217O

DETAILS

Sigma Aldrich - 609862

Packaging
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
(Normalized with respect to hydrogen)
Packaging
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
(Normalized with respect to hydrogen)
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Sigma Aldrich - 618535

Packaging
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Sigma Aldrich - 602965

General description
(Normalized with respect to hydrogen)
Packaging
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
(Normalized with respect to hydrogen)
Packaging
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Sigma Aldrich - 603066

General description
(Normalized with respect to hydrogen)
Packaging
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
(Normalized with respect to hydrogen)
Packaging
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.