1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile
TL;DR: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile (CAS 55003-48-0) is a chemical compound with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carbonitrile
Also Known As: N-(Cyclopentylmethyl)sulfamate, 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile, beta-D-Ribofuranurononitrile, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carbonitrile, .beta.-D-Ribofuranurononitrile, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-
| Molecular Formula | C9H9N3O5 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05421 |
| Heavy Atoms | 17 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 55003-48-0 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C#N)O)O |
| InChIKey | SSVMMUXBLKOZMG-XVFCMESISA-N |
Product Overview
1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile (CAS 55003-48-0), with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol. IUPAC: (2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carbonitrile.
Chemical Property Profile of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile
Property Insights of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile
The XLogP value of -1.5 indicates that 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile. Following Lipinski's Rule of Five, 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile 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 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile?
The CAS number of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile is 55003-48-0.
What is the molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile?
The molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile is C9H9N3O5.
What is the molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile?
The molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile is 239.05 g/mol.
Where can I buy 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile?
You can request a quote for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranurononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.