24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine
TL;DR: 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine (CAS 115288-28-3) is a chemical compound with molecular formula C34H50N5O16P3 and molecular weight 877.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] (4R)-4-[(8R,9S,10R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: ADP-Hoca, 3',5'-ADP-24-(12-Hydroxy-3-oxo-4-cholenoic acid), 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine, 24-(12-hydroxy-3-oxo-4-cholenoyl-5/'phospho)-3/'phosphoadenosine, [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] (4R)-4-[(8R,9S,10R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
| Molecular Formula | C34H50N5O16P3 |
|---|---|
| Molecular Weight | 877.25 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 877.2465 |
| Heavy Atoms | 58 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 115288-28-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H]4CC[C@@H]5[C@@]4(C(C[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)O)C |
| InChIKey | LZZSDQZZUZSFMG-SWQQIEAQSA-N |
Product Overview
24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine (CAS 115288-28-3), with molecular formula C34H50N5O16P3 and molecular weight 877.25 g/mol. IUPAC: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] (4R)-4-[(8R,9S,10R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine
Property Insights of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine
The XLogP value of -0.9 indicates that 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine?
The CAS number of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine is 115288-28-3.
What is the molecular formula of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine?
The molecular formula of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine is C34H50N5O16P3.
What is the molecular weight of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine?
The molecular weight of 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine is 877.25 g/mol.
Where can I buy 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine?
You can request a quote for 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.