RUBRATOXIN B
TL;DR: RUBRATOXIN B (CAS 21794-01-4) is a chemical compound with molecular formula C26H30O11 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-(1-hydroxyheptyl)-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: RUBRATOXIN B, Rubratoxins, (4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, (+)-10-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c ]difuran-1,3,6,8(4H)-tetrone
| Molecular Formula | C26H30O11 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.17883 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 21794-01-4 |
|---|---|
| SMILES | CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O |
| InChIKey | ZJTBTDVZNGBSNG-UHFFFAOYSA-N |
Product Overview
RUBRATOXIN B (CAS 21794-01-4), with molecular formula C26H30O11 and molecular weight 518.18 g/mol. IUPAC: 2-hydroxy-3-(1-hydroxyheptyl)-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
Property Insights of RUBRATOXIN B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RUBRATOXIN B. The TPSA of 174.0 Ų indicates high polarity, suggesting RUBRATOXIN B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RUBRATOXIN B has 3 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?
The CAS number of RUBRATOXIN B is 21794-01-4.
What is the molecular formula of RUBRATOXIN B?
The molecular formula of RUBRATOXIN B is C26H30O11.
What is the molecular weight of RUBRATOXIN B?
The molecular weight of RUBRATOXIN B is 518.18 g/mol.
Where can I buy RUBRATOXIN B?
You can request a quote for RUBRATOXIN B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RUBRATOXIN B?
Yes, KEHONG BIO provides custom synthesis services for RUBRATOXIN B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.