1,2,3-Propanetriol-1,3-14C2
Basic information
- CAS
4819-41-4- Standard SMILES
O[14CH2]C(O)[14CH2]O- InChIKey
PEDCQBHIVMGVHV-XPULMUKRSA-N- Molecular formula
- C3H8O3
- Average molar mass
- 96.08 g/mol
- Monoisotopic mass
- 96.05382809
Names & identifiers
- Preferred name
- 1,2,3-Propanetriol-1,3-14C2
- IUPAC
- (1,3-14C2)propane-1,2,3-triol
Names & synonyms
DTXSID6013102841,2,3-Propanetriol-1,3-14C24819-41-4RefChem:1051995DTXCID901740137(1,3-~14~C_2_)Propane-1,2,3-triol19622-69-6
Database identifiers
- CAS
4819-41-4- PubChem CID
- 12239072
- DTXSID
DTXSID601310284- Nikkaji
- J569.883I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.2
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Compound notes
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