5-nitro-1-
TL;DR: 5-nitro-1- (CAS 21486-29-3) is a chemical compound with molecular formula C9H9N3O9 and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-3,4-dihydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
Also Known As: 5-nitro-1-, A-d-ribofuranuronosylpyrimidine-2,4(1h,3h)-dione, 4-Hydroxy-5-nitro-1-pentofuranuronosylpyrimidin-2(1H)-one, Ribofuranuronic acid, -deoxy-1-(3,4-dihydro-5-nitro-2,4-dioxo-1(2H)pyrimidinyl)-, beta-D-Ribofuranuronic acid, 1-deoxy-1-(3,4-dihydro-5-nitro-2,4-dioxo-1(2H)-pyrimidinyl)-
| Molecular Formula | C9H9N3O9 |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.03387 |
| Heavy Atoms | 21 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 21486-29-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O)[N+](=O)[O-] |
| InChIKey | DUBUXQUVDJJEBA-RASXUPOOSA-N |
Product Overview
5-nitro-1- (CAS 21486-29-3), with molecular formula C9H9N3O9 and molecular weight 303.03 g/mol. IUPAC: (2S,3S,4R,5R)-3,4-dihydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid.
Chemical Property Profile of 5-nitro-1-
Property Insights of 5-nitro-1-
The XLogP value of -2.0 indicates that 5-nitro-1- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting 5-nitro-1- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-nitro-1- has 4 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 5-nitro-1-?
The CAS number of 5-nitro-1- is 21486-29-3.
What is the molecular formula of 5-nitro-1-?
The molecular formula of 5-nitro-1- is C9H9N3O9.
What is the molecular weight of 5-nitro-1-?
The molecular weight of 5-nitro-1- is 303.03 g/mol.
Where can I buy 5-nitro-1-?
You can request a quote for 5-nitro-1- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-1-?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-1- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.