L-Alanine, N-(N-(3-amino-3,3-diphosphonopropyl)glycyl)-
Basic information
- CAS
69436-23-3- Standard SMILES
C[C@H](NC(=O)CNCCC(N)(P(=O)(O)O)P(=O)(O)O)C(=O)O- InChIKey
JAGWERZITOJGBL-YFKPBYRVSA-N- Molecular formula
- C8H19N3O9P2
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 363.05965245
Names & identifiers
- Preferred name
- L-Alanine, N-(N-(3-amino-3,3-diphosphonopropyl)glycyl)-
- IUPAC
- (2S)-2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]acetyl]amino]propanoic acid
Names & synonyms
N-(N-(3-Amino-3,3-diphosphonopropyl)glycyl)alanine69436-23-3L-Alanine, N-(N-(3-amino-3,3-diphosphonopropyl)glycyl)-N-(alpha-Aminopropylidene-alpha,alpha-diphosphono)glycylalanineDTXSID00219599RefChem:350574DTXCID00142090N-(3-Amino-3,3-diphosphonopropyl)glycyl-L-alanine
Database identifiers
- CAS
69436-23-3- PubChem CID
- 50546
- DTXSID
DTXSID00219599
Properties
Computed structural properties
- XLogP
- -9.6
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
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Related reactions
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Compound notes
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