Pyrophosphohistidine
TL;DR: Pyrophosphohistidine (CAS 100764-00-9) is a chemical compound with molecular formula C6H11N3O8P2 and molecular weight 315.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[1-[hydroxy(phosphonooxy)phosphoryl]imidazol-4-yl]propanoic acid
Also Known As: Pyrophosphohistidine, 1-[Hydroxy(phosphonooxy)phosphoryl]-L-histidine, (2S)-2-amino-3-[1-[hydroxy(phosphonooxy)phosphoryl]imidazol-4-yl]propanoic acid, RefChem:177873
| Molecular Formula | C6H11N3O8P2 |
|---|---|
| Molecular Weight | 315.00 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.00214 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 100764-00-9 |
|---|---|
| SMILES | C1=C(N=CN1P(=O)(O)OP(=O)(O)O)C[C@@H](C(=O)O)N |
| InChIKey | BYJLVVUFWOYJOM-YFKPBYRVSA-N |
Product Overview
Pyrophosphohistidine (CAS 100764-00-9), with molecular formula C6H11N3O8P2 and molecular weight 315.00 g/mol. IUPAC: (2S)-2-amino-3-[1-[hydroxy(phosphonooxy)phosphoryl]imidazol-4-yl]propanoic acid.
Chemical Property Profile of Pyrophosphohistidine
Property Insights of Pyrophosphohistidine
The XLogP value of -5.9 indicates that Pyrophosphohistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Pyrophosphohistidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrophosphohistidine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrophosphohistidine?
The CAS number of Pyrophosphohistidine is 100764-00-9.
What is the molecular formula of Pyrophosphohistidine?
The molecular formula of Pyrophosphohistidine is C6H11N3O8P2.
What is the molecular weight of Pyrophosphohistidine?
The molecular weight of Pyrophosphohistidine is 315.00 g/mol.
Where can I buy Pyrophosphohistidine?
You can request a quote for Pyrophosphohistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrophosphohistidine?
Yes, KEHONG BIO provides custom synthesis services for Pyrophosphohistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.