ppcA
TL;DR: ppcA (CAS 96156-15-9) is a chemical compound with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-phosphonooxyphosphinic acid
Also Known As: ppcA, 5'-Deoxy-5'-phosphonomethyladenosine phosphate, 9-{5,6-Dideoxy-6-[hydroxy(phosphonooxy)phosphoryl]hexofuranosyl}-9H-purin-6-amine, 2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-phosphonooxyphosphinic acid, 9-{5,6-dideoxy-6-[hydroxy(phosphonooxy)phosphoryl]-D-ribo-hexofuranosyl}-9H-purin-6-amine
| Molecular Formula | C11H17N5O9P2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.05014 |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 96156-15-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CCP(=O)(O)OP(=O)(O)O)O)O)N |
| InChIKey | FANAVXXBPKVMFK-YNJARDAQSA-N |
Product Overview
ppcA (CAS 96156-15-9), with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol. IUPAC: 2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-phosphonooxyphosphinic acid.
Chemical Property Profile of ppcA
Property Insights of ppcA
The XLogP value of -3.5 indicates that ppcA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting ppcA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ppcA has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ppcA?
The CAS number of ppcA is 96156-15-9.
What is the molecular formula of ppcA?
The molecular formula of ppcA is C11H17N5O9P2.
What is the molecular weight of ppcA?
The molecular weight of ppcA is 425.05 g/mol.
Where can I buy ppcA?
You can request a quote for ppcA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ppcA?
Yes, KEHONG BIO provides custom synthesis services for ppcA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.