2-Amino-1,2,3-propanetriol
Basic information
- CAS
13444-25-2- Standard SMILES
NC(O)(CO)CO- InChIKey
YVSRCMRQHZXTPD-UHFFFAOYSA-N- Molecular formula
- C3H9NO3
- Average molar mass
- 107.11 g/mol
- Monoisotopic mass
- 107.05824315
Names & identifiers
- Preferred name
- 2-Amino-1,2,3-propanetriol
- IUPAC
- 2-aminopropane-1,2,3-triol
Names & synonyms
2-Amino-1,2,3-propanetriol13444-25-2RefChem:2551712-aminopropane-1,2,3-triolSCHEMBL2359598DTXSID9013114172-amino-2-hydroxy-1,3-propanediol
Database identifiers
- CAS
13444-25-2- PubChem CID
- 447648
- DTXSID
DTXSID901311417- Nikkaji
- J1.512.027D
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.1
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Compound notes
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