![[(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate structure](/static/products/779/779323-43-2.png)
[(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
TL;DR: [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate (CAS 779323-43-2) is a chemical compound with molecular formula C13H18IN5O8P2 and molecular weight 560.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Also Known As: [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate, [(1S,4S,5R)-2-[2-Iodo-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
| Molecular Formula | C13H18IN5O8P2 |
|---|---|
| Molecular Weight | 560.97 g/mol |
| LogP | 1.0109 |
| Topological Polar Surface Area | 189.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.9675 |
| Heavy Atoms | 29 |
| Complexity | 1055.244 |
Chemical Identifiers
| CAS Number | 779323-43-2 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)I)N(C=N2)C3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O |
Product Overview
[(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate (CAS 779323-43-2), with molecular formula C13H18IN5O8P2 and molecular weight 560.97 g/mol. IUPAC: [(1R,2S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate.
Chemical Property Profile of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Property Insights of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
The XLogP value of 1.0109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate. The TPSA of 189.15 Ų indicates high polarity, suggesting [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate?
The CAS number of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate is 779323-43-2.
What is the molecular formula of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate?
The molecular formula of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate is C13H18IN5O8P2.
What is the molecular weight of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate?
The molecular weight of [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate is 560.97 g/mol.
Where can I buy [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate?
You can request a quote for [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for [(1R,2S,5S)-4-[2-Iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.