5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione (CAS 52918-39-5) is a chemical compound with molecular formula C9H14N4O8 and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
Also Known As: RNO2P, 1t13, 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 5-nitro-6-(d-ribitylamino)-2,4(1h,3h)-pyrimidinedione, J1.729.607H
| Molecular Formula | C9H14N4O8 |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.08118 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 52918-39-5 |
|---|---|
| SMILES | C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| InChIKey | KSKGHNZSCSCHEQ-RPDRRWSUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione (CAS 52918-39-5), with molecular formula C9H14N4O8 and molecular weight 306.08 g/mol. IUPAC: 5-nitro-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
The XLogP value of -2.7 indicates that 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione is 52918-39-5.
What is the molecular formula of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione is C9H14N4O8.
What is the molecular weight of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione is 306.08 g/mol.
Where can I buy 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.