4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
TL;DR: 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (CAS 685111-92-6) is a chemical compound with molecular formula C17H21N4O8P and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
Also Known As: 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one, 4-Amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C17H21N4O8P |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 0.1426 |
| Topological Polar Surface Area | 168.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1097 |
| Heavy Atoms | 30 |
| Complexity | 989.2235 |
Chemical Identifiers
| CAS Number | 685111-92-6 |
|---|---|
| SMILES | C1CO[P@@](=O)(O[C@@H]1C2=CC=NC=C2)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O |
Product Overview
4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (CAS 685111-92-6), with molecular formula C17H21N4O8P and molecular weight 440.11 g/mol. IUPAC: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Property Insights of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
The XLogP value of 0.1426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one. The TPSA of 168.25 Ų indicates high polarity, suggesting 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one?
The CAS number of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one is 685111-92-6.
What is the molecular formula of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one?
The molecular formula of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one is C17H21N4O8P.
What is the molecular weight of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one?
The molecular weight of 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one is 440.11 g/mol.
Where can I buy 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one?
You can request a quote for 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-((((2R,4S)-2-oxido-4-(pyridin-4-yl)-1,3,2-dioxaphosphinan-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.