Tubuloside B
TL;DR: Tubuloside B (CAS 112516-04-8) is a chemical compound with molecular formula C31H38O16 and molecular weight 666.216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Tubuloside B, HY-N7637, ((2R,3R,4S,5R,6R)-5-Acetoxy-6-(3,4-dihydroxyphenethoxy)-3-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate, [(2R,3R,4S,5R,6R)-5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 2-acetate 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
Technical Specifications
| Molecular Formula | C31H38O16 |
| Molecular Weight | 666.216 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 666.216 Da |
| Heavy Atoms | 47 |
| Complexity | 1040.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O |
| InChIKey | HFJIGXAMJFDVFR-OMRKUVHCSA-N |
Chemical Property Profile of Tubuloside B
Property Insights of Tubuloside B
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tubuloside B. The TPSA of 251.0 Ų indicates high polarity, suggesting Tubuloside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tubuloside B has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tubuloside B?
The CAS number of Tubuloside B is 112516-04-8.
What is the molecular formula of Tubuloside B?
The molecular formula of Tubuloside B is C31H38O16.
What is the molecular weight of Tubuloside B?
The molecular weight of Tubuloside B is 666.216 g/mol.
Where can I buy Tubuloside B?
You can request a quote for Tubuloside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tubuloside B?
Yes, CoreyChem provides custom synthesis services for Tubuloside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.