((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid
TL;DR: ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid (CAS 117627-12-0) is a chemical compound with molecular formula C12H18BrN2O9P and molecular weight 443.99332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R,3S,4S,5S)-5-(2-amino-3-bromo-6-oxo-2,5-dihydro-1H-pyridin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid, ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydropyridin-3-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid, (1S)-1-(6-Amino-5-bromo-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-arabinitol, {[5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 1-(6-Amino-5-bromo-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol
Technical Specifications
| Molecular Formula | C12H18BrN2O9P |
| Molecular Weight | 443.99332 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.99332 Da |
| Heavy Atoms | 25 |
| Complexity | 630.0 |
| SMILES | C1=C(C(NC(=O)C1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O)N)Br |
| InChIKey | NWJCOJSBNJRWJQ-MZYLLPMKSA-N |
Chemical Property Profile of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid
Property Insights of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid
The XLogP value of -5.9 indicates that ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid?
The CAS number of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid is 117627-12-0.
What is the molecular formula of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid?
The molecular formula of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid is C12H18BrN2O9P.
What is the molecular weight of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid?
The molecular weight of ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid is 443.99332 g/mol.
Where can I buy ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid?
You can request a quote for ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid?
Yes, CoreyChem provides custom synthesis services for ((5-(6-Amino-5-bromo-2-oxo-1,2,3,6-tetrahydro-pyridin-3-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.