Adenosine diphosphate (hydroxymethyl)pyrrolidinediol
TL;DR: Adenosine diphosphate (hydroxymethyl)pyrrolidinediol (CAS 148252-73-7) is a chemical compound with molecular formula C15H24N6O12P2 and molecular weight 542.0928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl hydrogen phosphate
Also Known As: ADP-HPD, Adenosine Diphosphate (hydroxymethyl)pyrrolidinediol, adenosine 5'-diphosphate (hydroxymethyl)pyrrolidinediol, [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE
Technical Specifications
| Molecular Formula | C15H24N6O12P2 |
| Molecular Weight | 542.0928 g/mol |
| XLogP | -8.2 |
| Topological Polar Surface Area (TPSA) | 274.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.0928 Da |
| Heavy Atoms | 35 |
| Complexity | 846.0 |
| SMILES | C1[C@@H]([C@@H]([C@H](N1)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)O |
| InChIKey | NDQDTBCXPOIQGT-UHNJQBFTSA-N |
Chemical Property Profile of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol
Property Insights of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol
The XLogP value of -8.2 indicates that Adenosine diphosphate (hydroxymethyl)pyrrolidinediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 274.0 Ų indicates high polarity, suggesting Adenosine diphosphate (hydroxymethyl)pyrrolidinediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine diphosphate (hydroxymethyl)pyrrolidinediol has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol?
The CAS number of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol is 148252-73-7.
What is the molecular formula of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol?
The molecular formula of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol is C15H24N6O12P2.
What is the molecular weight of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol?
The molecular weight of Adenosine diphosphate (hydroxymethyl)pyrrolidinediol is 542.0928 g/mol.
Where can I buy Adenosine diphosphate (hydroxymethyl)pyrrolidinediol?
You can request a quote for Adenosine diphosphate (hydroxymethyl)pyrrolidinediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adenosine diphosphate (hydroxymethyl)pyrrolidinediol?
Yes, CoreyChem provides custom synthesis services for Adenosine diphosphate (hydroxymethyl)pyrrolidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.