Basic information
- CAS
63446-55-9- Standard SMILES
N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O- InChIKey
FCIHAQFHXJOLIF-YFKPBYRVSA-N- Molecular formula
- C7H15N2O6P
- Average molar mass
- 254.18 g/mol
- Monoisotopic mass
- 254.0667732
Names & identifiers
- Preferred name
- N(delta)-(Phosphonoacetyl)-L-ornithine
- IUPAC
- (2S)-2-amino-5-[(2-phosphonoacetyl)amino]pentanoic acid
- English name
- N(delta)-(phosphonoacetyl)-L-ornithine
- Molecular formula
- C7H15N2O6P
- Molecular weight
- 254.18
Names & synonyms
N-(Phosphonoacetyl)-L-ornithine63446-55-9N-delta-PhoorN5-(Phosphonoacetyl)-L-ornithineN(delta)-(Phosphonoacetyl)-L-ornithineN5-phosphonoacetyl-L-ornithineN-delta-(phosphonoacetyl)-L-ornithinePALO cpd(2S)-2-amino-5-(2-phosphonoacetamido)pentanoic acidRefChem:160851(2S)-2-amino-5-[(2-phosphonoacetyl)amino]pentanoic acidCHEMBL1160567
Show more names
L-Ornithine, N5-(2-phosphonoacetyl)-
DTXSID10979657FCIHAQFHXJOLIF-YFKPBYRVSA-NN~5~-(phosphonoacetyl)-L-ornithineL-Ornithine, N5-(phosphonoacetyl)-DB02011DB-221415HY-153105CS-0650656
Database identifiers
- CAS
63446-55-9- PubChem CID
- 124992
- DTXSID
DTXSID10979657- ChEMBL
CHEMBL1160567- Nikkaji
- J824.126K
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.514 · 1.514±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.738 · 1.738±0.14(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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