2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
TL;DR: 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate (CAS 77450-67-0) is a chemical compound with molecular formula C16H15N8O16P2- and molecular weight 637.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(4R,6R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Tnp-ADP, 2,4,6-Tad, 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate, [[(4R,6R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate, 2',3'-O-(2,4,6-Trinitrophenyl)adenosine 5'-diphosphate
| Molecular Formula | C16H15N8O16P2- |
|---|---|
| Molecular Weight | 637.01 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.0081 |
| Heavy Atoms | 42 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 77450-67-0 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])OC3[C@H](O[C@H](C3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WYOHYTDXVJMKHS-LKSVHCESSA-M |
Product Overview
2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate (CAS 77450-67-0), with molecular formula C16H15N8O16P2- and molecular weight 637.01 g/mol. IUPAC: [[(4R,6R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
Property Insights of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
The XLogP value of -3.8 indicates that 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.0 Ų indicates high polarity, suggesting 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate?
The CAS number of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate is 77450-67-0.
What is the molecular formula of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate?
The molecular formula of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate is C16H15N8O16P2-.
What is the molecular weight of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate?
The molecular weight of 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate is 637.01 g/mol.
Where can I buy 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate?
You can request a quote for 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.