1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate
TL;DR: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate (CAS 54918-06-8) is a chemical compound with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R)-4-acetyloxy-2-carbamoyl-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate, beta-D-ribofuranuronamide, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 2,3-diacetate, [(2S,3S,4R,5R)-4-acetyloxy-2-carbamoyl-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate, .beta.-D-Ribofuranuronamide, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 2,3-diacetate
| Molecular Formula | C13H15N3O8 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.0859 |
| Heavy Atoms | 24 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 54918-06-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1C(=O)N)N2C=CC(=O)NC2=O)OC(=O)C |
| InChIKey | SLYTXACXSBTENO-DTHBNOIPSA-N |
Product Overview
1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate (CAS 54918-06-8), with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol. IUPAC: [(2S,3S,4R,5R)-4-acetyloxy-2-carbamoyl-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate
Property Insights of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate
The XLogP value of -2.1 indicates that 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate 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 2,3-diacetate has 2 hydrogen bond donor(s) and 8 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 2,3-diacetate?
The CAS number of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate is 54918-06-8.
What is the molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate?
The molecular formula of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate is C13H15N3O8.
What is the molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate?
The molecular weight of 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate is 341.09 g/mol.
Where can I buy 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate?
You can request a quote for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate 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 2,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.