KI 8110
TL;DR: KI 8110 (CAS 80681-73-8) is a chemical compound with molecular formula C32H42FN3O18 and molecular weight 775.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-5-acetamido-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
Also Known As: KI 8110, methyl (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-5-acetamido-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate, 5-Fluoro-2',3'-isopropylidene-5'-O-(4-N-acetyl-2,4-dideoxy-3,6,7,8-tetra-O-acetyl-1-methoxycarbonylglycerogalactooctapyranosyl)uridine, Uridine, 5'-O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-alpha-neuraminosyl)-5-fluoro-2',3'-O-(1-methylethylidene)-, 5 -O-(N,4-O,7-O,8-O,9-O-Pentaacetyl-1-O -methyl-alpha-neuraminosyl)-5-fluoro-2 -O,3 -O-(1-methylethylidene)uridine
| Molecular Formula | C32H42FN3O18 |
|---|---|
| Molecular Weight | 775.24 g/mol |
| LogP | -1.3691 |
| Topological Polar Surface Area | 261.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 775.24475 |
| Heavy Atoms | 54 |
| Complexity | 1745.0535 |
Chemical Identifiers
| CAS Number | 80681-73-8 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)N4C=C(C(=O)NC4=O)F)OC(O3)(C)C)OC(=O)C |
Product Overview
KI 8110 (CAS 80681-73-8), with molecular formula C32H42FN3O18 and molecular weight 775.24 g/mol. IUPAC: methyl (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-5-acetamido-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate.
Chemical Property Profile of KI 8110
Property Insights of KI 8110
The XLogP value of -1.3691 indicates that KI 8110 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.61 Ų indicates high polarity, suggesting KI 8110 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KI 8110 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KI 8110?
The CAS number of KI 8110 is 80681-73-8.
What is the molecular formula of KI 8110?
The molecular formula of KI 8110 is C32H42FN3O18.
What is the molecular weight of KI 8110?
The molecular weight of KI 8110 is 775.24 g/mol.
Where can I buy KI 8110?
You can request a quote for KI 8110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KI 8110?
Yes, KEHONG BIO provides custom synthesis services for KI 8110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.