腺苷一磷酸-腺苷
TL;DR: 腺苷一磷酸-腺苷 (CAS 31349-23-2) is a chemical compound with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷一磷酸-腺苷
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Adenosine monophosphate-adenosine, AP-A, KST-1A3703, Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.12 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 31349-23-2 |
|---|---|
| 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[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)CO)O)O)O)N |
| InChIKey | WCHSQACWYIQTKL-XPWFQUROSA-N |
Product Overview
腺苷一磷酸-腺苷 (CAS 31349-23-2), with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of 腺苷一磷酸-腺苷
Property Insights of 腺苷一磷酸-腺苷
The XLogP value of -5.5 indicates that 腺苷一磷酸-腺苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting 腺苷一磷酸-腺苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷一磷酸-腺苷 has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 腺苷一磷酸-腺苷?
The CAS number of 腺苷一磷酸-腺苷 is 31349-23-2.
What is the molecular formula of 腺苷一磷酸-腺苷?
The molecular formula of 腺苷一磷酸-腺苷 is C20H26N10O13P2.
What is the molecular weight of 腺苷一磷酸-腺苷?
The molecular weight of 腺苷一磷酸-腺苷 is 676.12 g/mol.
Where can I buy 腺苷一磷酸-腺苷?
You can request a quote for 腺苷一磷酸-腺苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷一磷酸-腺苷?
Yes, KEHONG BIO provides custom synthesis services for 腺苷一磷酸-腺苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.