Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110096
Identification
Name: (R)-1-amino-2-propanol O-2-phosphate
Description:Not Available
Structure
Thumb
Synonyms:
  • (R)-1-aminopropan-2-yl phosphate
Chemical Formula: C3H9NO4P
Average Molecular Weight: 156.0425693567
Monoisotopic Molecular Weight: 156.0425693567
InChI Key: YBOLZUJJGUZUDC-GSVOUGTGSA-M
InChI: InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/p-1/t3-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C[N+])OP(=O)([O-])[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Organic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct Parent Alkyl phosphates
Alternative Parents
Substituents
  • Alkyl phosphate
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass154.0818ChemAxon
logP0.5814ChemAxon
H-bond acceptors5ChemAxon
H-bond donors2ChemAxon
Rotatable bonds3ChemAxon
PSA105.4200ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity29.7822ChemAxon
Atoms18ChemAxon
Rings0ChemAxon
Heavy atoms9ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms6ChemAxon
N/O atoms5ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers1ChemAxon
R/S chiral centers1ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • adenosylcobalamin biosynthesis II (late cobalt incorporation)P381-PWY
  • adenosylcobalamin biosynthesis from cobyrinate a,c-diamide IPWY-5509
  • adenosylcobalamin biosynthesis from cobyrinate a,c-diamide IIPWY-5508
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycR-1-AMINOPROPAN-2-YL-PHOSPHATE