P1-腺苷5'-P2-2-硝基苄基焦磷酸
TL;DR: P1-腺苷5'-P2-2-硝基苄基焦磷酸 (CAS 77697-37-1) is a chemical compound with molecular formula C17H20N6O12P2 and molecular weight 562.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
P1-腺苷5'-P2-2-硝基苄基焦磷酸
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate
Also Known As: Sid 769256, P1-Adenosine 5'-P2-2-nitrobenzyl pyrophosphate, P1-Adenosine 5'-P2-o-nitrobenzyl pyrophosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate, 5'-o-[hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adenosine
| Molecular Formula | C17H20N6O12P2 |
|---|---|
| Molecular Weight | 562.06 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.06146 |
| Heavy Atoms | 37 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 77697-37-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)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)[N+](=O)[O-] |
| InChIKey | AOTDBFTXUYWFSN-LSCFUAHRSA-N |
Product Overview
P1-腺苷5'-P2-2-硝基苄基焦磷酸 (CAS 77697-37-1), with molecular formula C17H20N6O12P2 and molecular weight 562.06 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate.
Chemical Property Profile of P1-腺苷5'-P2-2-硝基苄基焦磷酸
Property Insights of P1-腺苷5'-P2-2-硝基苄基焦磷酸
The XLogP value of -2.8 indicates that P1-腺苷5'-P2-2-硝基苄基焦磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting P1-腺苷5'-P2-2-硝基苄基焦磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P1-腺苷5'-P2-2-硝基苄基焦磷酸 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P1-腺苷5'-P2-2-硝基苄基焦磷酸?
The CAS number of P1-腺苷5'-P2-2-硝基苄基焦磷酸 is 77697-37-1.
What is the molecular formula of P1-腺苷5'-P2-2-硝基苄基焦磷酸?
The molecular formula of P1-腺苷5'-P2-2-硝基苄基焦磷酸 is C17H20N6O12P2.
What is the molecular weight of P1-腺苷5'-P2-2-硝基苄基焦磷酸?
The molecular weight of P1-腺苷5'-P2-2-硝基苄基焦磷酸 is 562.06 g/mol.
Where can I buy P1-腺苷5'-P2-2-硝基苄基焦磷酸?
You can request a quote for P1-腺苷5'-P2-2-硝基苄基焦磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P1-腺苷5'-P2-2-硝基苄基焦磷酸?
Yes, KEHONG BIO provides custom synthesis services for P1-腺苷5'-P2-2-硝基苄基焦磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.