2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate
TL;DR: 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate (CAS 141802-28-0) is a chemical compound with molecular formula C15H14N5O15P and molecular weight 535.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
Also Known As: O-Tnp-ump, 2',3'-O- uridine5'-monophosphate, 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate, 2',3'-O-(2,4,6-Trinitrocyclohexadienylidene)uridine 5'-monophosphate, [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
| Molecular Formula | C15H14N5O15P |
|---|---|
| Molecular Weight | 535.02 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 535.0224 |
| Heavy Atoms | 36 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 141802-28-0 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OC4(O3)C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GPCSIXCSWYBKCL-GSBRZVNQSA-N |
Product Overview
2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate (CAS 141802-28-0), with molecular formula C15H14N5O15P and molecular weight 535.02 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate
Property Insights of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate
The XLogP value of -3.0 indicates that 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate?
The CAS number of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate is 141802-28-0.
What is the molecular formula of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate?
The molecular formula of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate is C15H14N5O15P.
What is the molecular weight of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate?
The molecular weight of 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate is 535.02 g/mol.
Where can I buy 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate?
You can request a quote for 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.