1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide
TL;DR: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide (CAS 54918-02-4) is a chemical compound with molecular formula C9H11N3O6 and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: 1'-Uracil-1-yl-beta-D-ribofuranuronamide, 1-(2,4-dihydroxy-3,5-dinitro-phenyl)-ethanone, 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide, (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide, .beta.-D-Ribofuranuronamide, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-
| Molecular Formula | C9H11N3O6 |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0648 |
| Heavy Atoms | 18 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 54918-02-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)N)O)O |
| InChIKey | KRMPSSVTJAZMOA-SKHQTKALSA-N |
Product Overview
1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide (CAS 54918-02-4), with molecular formula C9H11N3O6 and molecular weight 257.06 g/mol. IUPAC: (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.
Chemical Property Profile of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide
Property Insights of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide
The XLogP value of -2.7 indicates that 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide has 4 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-ribofuranuronamide?
The CAS number of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide is 54918-02-4.
What is the molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide?
The molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide is C9H11N3O6.
What is the molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide?
The molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide is 257.06 g/mol.
Where can I buy 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide?
You can request a quote for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 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-ribofuranuronamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.