Uttronin A
TL;DR: Uttronin A (CAS 39941-51-0) is a chemical compound with molecular formula C50H82O22 and molecular weight 1034.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Uttronin A, Spirostan-3-yl 4-O-(2-O-hexopyranosyl-3-O-pentopyranosylhexopyranosyl)hexopyranoside, 2-(2-(4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxyoxan-3-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]yl)oxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C50H82O22 |
|---|---|
| Molecular Weight | 1034.53 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1034.5298 |
| Heavy Atoms | 72 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 39941-51-0 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | BJNQXJIQCPPOHN-UHFFFAOYSA-N |
Product Overview
Uttronin A (CAS 39941-51-0), with molecular formula C50H82O22 and molecular weight 1034.53 g/mol. IUPAC: 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Uttronin A
Property Insights of Uttronin A
The XLogP value of -0.4 indicates that Uttronin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.0 Ų indicates high polarity, suggesting Uttronin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uttronin A has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uttronin A?
The CAS number of Uttronin A is 39941-51-0.
What is the molecular formula of Uttronin A?
The molecular formula of Uttronin A is C50H82O22.
What is the molecular weight of Uttronin A?
The molecular weight of Uttronin A is 1034.53 g/mol.
Where can I buy Uttronin A?
You can request a quote for Uttronin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uttronin A?
Yes, KEHONG BIO provides custom synthesis services for Uttronin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.