Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine
TL;DR: Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine (CAS 7399-58-8) is a chemical compound with molecular formula C24H31N8O16P and molecular weight 718.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
Also Known As: Sid 769215, KST-1A7994, Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine, (3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid, (3s)-2-[({9-[(2r,3r,4s,5r)-5-({[{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-9h-purin-6-yl}carbamoyl)amino]-3-hydroxybutanoic acid(non-preferred name)
| Molecular Formula | C24H31N8O16P |
|---|---|
| Molecular Weight | 718.16 g/mol |
| LogP | -6.3 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 718.15955 |
| Heavy Atoms | 49 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 7399-58-8 |
|---|---|
| SMILES | C[C@@H](C(C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O |
| InChIKey | KEJRWEHAXNIPFY-MXPPEQKUSA-N |
Product Overview
Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine (CAS 7399-58-8), with molecular formula C24H31N8O16P and molecular weight 718.16 g/mol. IUPAC: (3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid.
Chemical Property Profile of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine
Property Insights of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine
The XLogP value of -6.3 indicates that Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine?
The CAS number of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine is 7399-58-8.
What is the molecular formula of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine?
The molecular formula of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine is C24H31N8O16P.
What is the molecular weight of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine?
The molecular weight of Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine is 718.16 g/mol.
Where can I buy Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine?
You can request a quote for Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.