Rubratoxin B, keto-
TL;DR: Rubratoxin B, keto- (CAS 30213-35-5) is a chemical compound with molecular formula C26H28O11 and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptanoyl-3-hydroxy-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Also Known As: Ketorubratoxin B, Rubratoxin B, keto-, 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4-heptanoyl-3-hydroxy-, 2-heptanoyl-3-hydroxy-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone, 4-Heptanoyl-5-hydroxy-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone
| Molecular Formula | C26H28O11 |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.16315 |
| Heavy Atoms | 37 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 30213-35-5 |
|---|---|
| SMILES | CCCCCCC(=O)C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O |
| InChIKey | VBNDYNDZONSETH-UHFFFAOYSA-N |
Product Overview
Rubratoxin B, keto- (CAS 30213-35-5), with molecular formula C26H28O11 and molecular weight 516.16 g/mol. IUPAC: 2-heptanoyl-3-hydroxy-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone.
Chemical Property Profile of Rubratoxin B, keto-
Property Insights of Rubratoxin B, keto-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubratoxin B, keto-. The TPSA of 171.0 Ų indicates high polarity, suggesting Rubratoxin B, keto- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubratoxin B, keto- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rubratoxin B, keto-?
The CAS number of Rubratoxin B, keto- is 30213-35-5.
What is the molecular formula of Rubratoxin B, keto-?
The molecular formula of Rubratoxin B, keto- is C26H28O11.
What is the molecular weight of Rubratoxin B, keto-?
The molecular weight of Rubratoxin B, keto- is 516.16 g/mol.
Where can I buy Rubratoxin B, keto-?
You can request a quote for Rubratoxin B, keto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubratoxin B, keto-?
Yes, KEHONG BIO provides custom synthesis services for Rubratoxin B, keto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.