UK 58852
TL;DR: UK 58852 (CAS 101621-29-8) is a chemical compound with molecular formula C52H88O18 and molecular weight 1000.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid
Also Known As: UK 58852, UK 58852, UK58852, UK58852, 2-[(2R,3S,4S,5R,6S)-2-Hydroxy-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid, 2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-6-(1-(9-hydroxy-2,8-dimethyl-2-(octahydro-2-methyl-5'-(tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3'-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)(2,2'-bifuran)-5-yl)-1,6-dioxaspiro(4,5)dec-7-yl)ethyl)-5-methoxy-3-methyl-4-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, (2R-(2alpha,3alpha,4beta(2S*,5S*,6R*),5alpha,6beta(R*(2S*(2S*,2'R*,3'S*(2S*,5S*,6R*),5R*,5'R*(2S*,3S*,5R*,6S*)),5R*,7S*,8R*,9S*))))-, 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(3S,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid
| Molecular Formula | C52H88O18 |
|---|---|
| Molecular Weight | 1000.60 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 1000.59705 |
| Heavy Atoms | 70 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 101621-29-8 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@](O[C@@H]1C2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CCC5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)O)C)C)O[C@H]8CC[C@@H]([C@H](O8)C)OC)(C)O)C |
| InChIKey | FERWJHOISPGQCT-QWAXQSKSSA-N |
Product Overview
UK 58852 (CAS 101621-29-8), with molecular formula C52H88O18 and molecular weight 1000.60 g/mol. IUPAC: 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3-methyloxan-2-yl]acetic acid.
Chemical Property Profile of UK 58852
Property Insights of UK 58852
The XLogP value of 5.2 indicates that UK 58852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting UK 58852 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UK 58852 has 4 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 UK 58852?
The CAS number of UK 58852 is 101621-29-8.
What is the molecular formula of UK 58852?
The molecular formula of UK 58852 is C52H88O18.
What is the molecular weight of UK 58852?
The molecular weight of UK 58852 is 1000.60 g/mol.
Where can I buy UK 58852?
You can request a quote for UK 58852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UK 58852?
Yes, KEHONG BIO provides custom synthesis services for UK 58852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.