J2.858.632I
TL;DR: J2.858.632I (CAS 642090-67-3) is a chemical compound with molecular formula C17H25N5O15P2 and molecular weight 601.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate
Also Known As: J2.858.632I, [(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxymethyl]-2,4-Bis(Oxidanyl)oxolan-3-Yl] Ethanoate, Adenosine 5'-(trihydrogen diphosphate), P'->5-ester with beta-D-ribofuranose 2-acetate (9CI), Adenosine 5 -diphosphoric acid beta-(2-O-acetyl-5-deoxy-beta-D-ribofuranose-5-yl) ester, (2R,3R,4R,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,4-dihydroxyoxolan-3-yl acetate
| Molecular Formula | C17H25N5O15P2 |
|---|---|
| Molecular Weight | 601.08 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 298.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 601.0822 |
| Heavy Atoms | 39 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 642090-67-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O |
| InChIKey | BFNOPXRXIQJDHO-QJWJOKBXSA-N |
Product Overview
J2.858.632I (CAS 642090-67-3), with molecular formula C17H25N5O15P2 and molecular weight 601.08 g/mol. IUPAC: [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate.
Chemical Property Profile of J2.858.632I
Property Insights of J2.858.632I
The XLogP value of -5.6 indicates that J2.858.632I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 298.0 Ų indicates high polarity, suggesting J2.858.632I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J2.858.632I has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.858.632I?
The CAS number of J2.858.632I is 642090-67-3.
What is the molecular formula of J2.858.632I?
The molecular formula of J2.858.632I is C17H25N5O15P2.
What is the molecular weight of J2.858.632I?
The molecular weight of J2.858.632I is 601.08 g/mol.
Where can I buy J2.858.632I?
You can request a quote for J2.858.632I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.858.632I?
Yes, KEHONG BIO provides custom synthesis services for J2.858.632I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.