Tribulosin
TL;DR: Tribulosin (CAS 79974-46-2) is a chemical compound with molecular formula C55H90O25 and molecular weight 1150.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(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-6-methyloxane-3,4,5-triol
Also Known As: Tribulosin, 2-[4-Hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(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-6-methyloxane-3,4,5-triol, 2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxytetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol, 2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxytetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-(5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol, Spirostan-3-yl 2-O-(6-deoxyhexopyranosyl)-4-O-(2,3-di-O-pentopyranosylhexopyranosyl)hexopyranoside
| Molecular Formula | C55H90O25 |
|---|---|
| Molecular Weight | 1150.58 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 12 |
| Exact Mass | 1150.5771 |
| Heavy Atoms | 80 |
| Complexity | 2090.0 |
Chemical Identifiers
| CAS Number | 79974-46-2 |
|---|---|
| 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(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1 |
| InChIKey | YYCFEJVBMMGRLX-UHFFFAOYSA-N |
Product Overview
Tribulosin (CAS 79974-46-2), with molecular formula C55H90O25 and molecular weight 1150.58 g/mol. IUPAC: 2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(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-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Tribulosin
Property Insights of Tribulosin
The XLogP value of -1.4 indicates that Tribulosin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting Tribulosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tribulosin has 13 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tribulosin?
The CAS number of Tribulosin is 79974-46-2.
What is the molecular formula of Tribulosin?
The molecular formula of Tribulosin is C55H90O25.
What is the molecular weight of Tribulosin?
The molecular weight of Tribulosin is 1150.58 g/mol.
Where can I buy Tribulosin?
You can request a quote for Tribulosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribulosin?
Yes, KEHONG BIO provides custom synthesis services for Tribulosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.