2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine
TL;DR: 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine (CAS 51392-72-4) is a chemical compound with molecular formula C11H13ClIN3O5 and molecular weight 428.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-iodo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] acetate;hydrochloride
Also Known As: Anhydro-araic 3'-acetate, 1-azaspiro[3.3]heptane,oxalic acid, 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine hydrochloride, 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine, 2,2'-Anhydro-1-(3'-O-acetyl-beta-D-arabinofuranosyl)-5-iodocytosine hydrochloride
| Molecular Formula | C11H13ClIN3O5 |
|---|---|
| Molecular Weight | 428.96 g/mol |
| LogP | -0.02863 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.95886 |
| Heavy Atoms | 21 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 51392-72-4 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC3=NC(=N)C(=CN23)I)CO.Cl |
| InChIKey | WYNRYQPILOPWIO-ZMEWEQIWSA-N |
Product Overview
2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine (CAS 51392-72-4), with molecular formula C11H13ClIN3O5 and molecular weight 428.96 g/mol. IUPAC: [(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-11-iodo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] acetate;hydrochloride.
Chemical Property Profile of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine
Property Insights of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine
The XLogP value of -0.02863 indicates that 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine. Following Lipinski's Rule of Five, 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine has 3 hydrogen bond donor(s) and 6 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 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine?
The CAS number of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine is 51392-72-4.
What is the molecular formula of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine?
The molecular formula of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine is C11H13ClIN3O5.
What is the molecular weight of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine?
The molecular weight of 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine is 428.96 g/mol.
Where can I buy 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine?
You can request a quote for 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Anhydro-1-(3'-O-acetyl-beta-arabinofuranosyl)-5-iodocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.