腺苷5'-亚甲基二磷酸
TL;DR: 腺苷5'-亚甲基二磷酸 (CAS 3768-14-7) is a chemical compound with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷5'-亚甲基二磷酸
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Also Known As: MethADP, AMPCPP, Adenosine 5'-methylenediphosphate, KST-1B3927, phosphomethylphosphonic acid adenosyl ester
| Molecular Formula | C11H17N5O9P2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.05014 |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 3768-14-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N |
| InChIKey | OLCWZBFDIYXLAA-UHFFFAOYSA-N |
Product Overview
腺苷5'-亚甲基二磷酸 (CAS 3768-14-7), with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.
Chemical Property Profile of 腺苷5'-亚甲基二磷酸
Property Insights of 腺苷5'-亚甲基二磷酸
The XLogP value of -4.8 indicates that 腺苷5'-亚甲基二磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting 腺苷5'-亚甲基二磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MethADP has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MethADP?
The CAS number of MethADP is 3768-14-7.
What is the molecular formula of MethADP?
The molecular formula of MethADP is C11H17N5O9P2.
What is the molecular weight of MethADP?
The molecular weight of MethADP is 425.05 g/mol.
Where can I buy MethADP?
You can request a quote for MethADP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MethADP?
Yes, KEHONG BIO provides custom synthesis services for MethADP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.