Phosphoadenosine diphosphoribose
TL;DR: Phosphoadenosine diphosphoribose (CAS 13552-81-3) is a chemical compound with molecular formula C15H24N5O17P3 and molecular weight 639.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Phospho-ADP ribose, Phosphoadenosine diphosphoribose, 2'-P-5'-ADP-Ribose, Adenosine 2'-monophospho- 5'-diphosphoribose, Adenosine 2'-monophospho-5'-diphosphoribose
| Molecular Formula | C15H24N5O17P3 |
|---|---|
| Molecular Weight | 639.04 g/mol |
| LogP | -3.1657 |
| Topological Polar Surface Area | 338.05 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 639.038 |
| Heavy Atoms | 40 |
| Complexity | 1356.9574 |
Chemical Identifiers
| CAS Number | 13552-81-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)N |
Product Overview
Phosphoadenosine diphosphoribose (CAS 13552-81-3), with molecular formula C15H24N5O17P3 and molecular weight 639.04 g/mol. IUPAC: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Phosphoadenosine diphosphoribose
Property Insights of Phosphoadenosine diphosphoribose
The XLogP value of -3.1657 indicates that Phosphoadenosine diphosphoribose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.05 Ų indicates high polarity, suggesting Phosphoadenosine diphosphoribose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphoadenosine diphosphoribose has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoadenosine diphosphoribose?
The CAS number of Phosphoadenosine diphosphoribose is 13552-81-3.
What is the molecular formula of Phosphoadenosine diphosphoribose?
The molecular formula of Phosphoadenosine diphosphoribose is C15H24N5O17P3.
What is the molecular weight of Phosphoadenosine diphosphoribose?
The molecular weight of Phosphoadenosine diphosphoribose is 639.04 g/mol.
Where can I buy Phosphoadenosine diphosphoribose?
You can request a quote for Phosphoadenosine diphosphoribose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoadenosine diphosphoribose?
Yes, KEHONG BIO provides custom synthesis services for Phosphoadenosine diphosphoribose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.