C11H12N6O5.ClH.1/2H2O
TL;DR: C11H12N6O5.ClH.1/2H2O (CAS 81629-30-3) is a chemical compound with molecular formula C11H13ClN6O5 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: C11H12N6O5.ClH.1/2H2O, C11-H12-N6-O5.Cl-H.1/2H2-O, 5-(9-Adenyl)-5-desoxy-1.4;3.6-dianhydro-L-iditol 2-nitrate hydrochloride hemihydrate, L-Iditol, 2-(6-amino-9H-purin-9-yl)-1,4:3,6-dianhydro-2-deoxy-, 5-nitrate, hydrochloride, hydrate (2:2:1), 2-(6-Amino-9H-purin-9-yl)-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
| Molecular Formula | C11H13ClN6O5 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | -0.2541 |
| Topological Polar Surface Area | 140.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0636 |
| Heavy Atoms | 23 |
| Complexity | 740.76544 |
Chemical Identifiers
| CAS Number | 81629-30-3 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])N3C=NC4=C(N=CN=C43)N.Cl |
Product Overview
C11H12N6O5.ClH.1/2H2O (CAS 81629-30-3), with molecular formula C11H13ClN6O5 and molecular weight 344.06 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of C11H12N6O5.ClH.1/2H2O
Property Insights of C11H12N6O5.ClH.1/2H2O
The XLogP value of -0.2541 indicates that C11H12N6O5.ClH.1/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.45 Ų indicates high polarity, suggesting C11H12N6O5.ClH.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C11H12N6O5.ClH.1/2H2O has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C11H12N6O5.ClH.1/2H2O?
The CAS number of C11H12N6O5.ClH.1/2H2O is 81629-30-3.
What is the molecular formula of C11H12N6O5.ClH.1/2H2O?
The molecular formula of C11H12N6O5.ClH.1/2H2O is C11H13ClN6O5.
What is the molecular weight of C11H12N6O5.ClH.1/2H2O?
The molecular weight of C11H12N6O5.ClH.1/2H2O is 344.06 g/mol.
Where can I buy C11H12N6O5.ClH.1/2H2O?
You can request a quote for C11H12N6O5.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H12N6O5.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C11H12N6O5.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.