Pyrophosphohistidine
Basic information
- CAS
100764-00-9- Standard SMILES
N[C@@H](Cc1cn(P(=O)(O)OP(=O)(O)O)cn1)C(=O)O- InChIKey
BYJLVVUFWOYJOM-YFKPBYRVSA-N- Molecular formula
- C6H11N3O8P2
- Average molar mass
- 315.11 g/mol
- Monoisotopic mass
- 315.00213831
Overview
RN given in first source; RN not in Chemline 6/86
Names & identifiers
- Preferred name
- Pyrophosphohistidine
- IUPAC
- (2S)-2-amino-3-[1-[hydroxy(phosphonooxy)phosphoryl]imidazol-4-yl]propanoic acid
- English name
- pyrophosphohistidine
- Molecular formula
- C6H11N3O8P2
- Molecular weight
- 315.11
Names & synonyms
Pyrophosphohistidine100764-00-9DTXSID40143506RefChem:177873DTXCID40659971-[Hydroxy(phosphonooxy)phosphoryl]-L-histidineL-Histidine, 1-[hydroxy(phosphonooxy)phosphinyl]-
Database identifiers
- CAS
100764-00-9- PubChem CID
- 196358
- DTXSID
DTXSID40143506
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 438
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Related reactions
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Compound notes
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