二磷酸腺苷
TL;DR: 二磷酸腺苷 (CAS 58-64-0) is a chemical compound with molecular formula C10H15N5O10P2 and molecular weight 427.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二磷酸腺苷
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: Adenosine 5'-diphosphate, ADP group, Adenosine diphosphate, Sodium ADP, Adenosine_Diphosphate
| Molecular Formula | C10H15N5O10P2 |
|---|---|
| Molecular Weight | 427.03 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.02942 |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 58-64-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N |
| InChIKey | XTWYTFMLZFPYCI-UHFFFAOYSA-N |
Product Overview
二磷酸腺苷 (CAS 58-64-0), with molecular formula C10H15N5O10P2 and molecular weight 427.03 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of 二磷酸腺苷
Property Insights of 二磷酸腺苷
The XLogP value of -4.6 indicates that 二磷酸腺苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 二磷酸腺苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二磷酸腺苷 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二磷酸腺苷?
The CAS number of 二磷酸腺苷 is 58-64-0.
What is the molecular formula of 二磷酸腺苷?
The molecular formula of 二磷酸腺苷 is C10H15N5O10P2.
What is the molecular weight of 二磷酸腺苷?
The molecular weight of 二磷酸腺苷 is 427.03 g/mol.
Where can I buy 二磷酸腺苷?
You can request a quote for 二磷酸腺苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二磷酸腺苷?
Yes, KEHONG BIO provides custom synthesis services for 二磷酸腺苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.