Rubratoxin B, dihydro-
TL;DR: Rubratoxin B, dihydro- (CAS 31924-91-1) is a chemical compound with molecular formula C26H32O11 and molecular weight 520.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-(6-oxooxan-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: Dihydrorubratoxin B, Hydrogenated rubratoxin, Rubratoxin B, dihydro-, (4R)-4-Hydroxy-5-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxooxan-2-yl)methyl]-5,9,10,11-tetrahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 3-hydroxy-4-(1-hydroxyheptyl)-8-[hydroxy(tetrahydro-6-oxo-2H-pyran-2-yl)methyl]-
| Molecular Formula | C26H32O11 |
|---|---|
| Molecular Weight | 520.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.19446 |
| Heavy Atoms | 37 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 31924-91-1 |
|---|---|
| SMILES | CCCCCC[C@H](C1[C@H](C2=C(CC(CC3=C1C(=O)OC3=O)[C@@H](C4CCCC(=O)O4)O)C(=O)OC2=O)O)O |
| InChIKey | SUJOIHZCXUSLLD-ATBOHCRVSA-N |
Product Overview
Rubratoxin B, dihydro- (CAS 31924-91-1), with molecular formula C26H32O11 and molecular weight 520.19 g/mol. IUPAC: (2R)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-(6-oxooxan-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, dihydro-
Property Insights of Rubratoxin B, dihydro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubratoxin B, dihydro-. The TPSA of 174.0 Ų indicates high polarity, suggesting Rubratoxin B, dihydro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubratoxin B, dihydro- 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, dihydro-?
The CAS number of Rubratoxin B, dihydro- is 31924-91-1.
What is the molecular formula of Rubratoxin B, dihydro-?
The molecular formula of Rubratoxin B, dihydro- is C26H32O11.
What is the molecular weight of Rubratoxin B, dihydro-?
The molecular weight of Rubratoxin B, dihydro- is 520.19 g/mol.
Where can I buy Rubratoxin B, dihydro-?
You can request a quote for Rubratoxin B, dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubratoxin B, dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Rubratoxin B, dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.