(Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
TL;DR: (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-31-6) is a chemical compound with molecular formula C13H16BrN2O9P and molecular weight 453.9777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-methoxycarbonylphosphinic acid
Also Known As: (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester, (Methoxycarbonyl) phosphonic acid 1-[5-(E)-(2-bromo-vinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester, [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-methoxycarbonylphosphinic acid, [(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-methoxycarbonyl-phosphinic acid
Technical Specifications
| Molecular Formula | C13H16BrN2O9P |
| Molecular Weight | 453.9777 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.9777 Da |
| Heavy Atoms | 26 |
| Complexity | 710.0 |
| SMILES | COC(=O)P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O |
| InChIKey | IOMTYAIBLZKYGP-YJCWOPNRSA-N |
Chemical Property Profile of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
Property Insights of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
The XLogP value of -1.4 indicates that (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The CAS number of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 115365-31-6.
What is the molecular formula of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular formula of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is C13H16BrN2O9P.
What is the molecular weight of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular weight of (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 453.9777 g/mol.
Where can I buy (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
You can request a quote for (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
Yes, CoreyChem provides custom synthesis services for (Methoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.