Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside
TL;DR: Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside (CAS 6631-63-6) is a chemical compound with molecular formula C23H28O12 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxyoxolan-2-yl)propyl] acetate
Also Known As: Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside, [2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxyoxolan-2-yl)propyl] acetate, [2,3-diacetoxy-3-(3,4-diacetoxy-5-phenoxy-tetrahydrofuran-2-yl)propyl] acetate
| Molecular Formula | C23H28O12 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 496.15808 |
| Heavy Atoms | 35 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 6631-63-6 |
|---|---|
| SMILES | CC(=O)OCC(C(C1C(C(C(O1)OC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | ZMDAFLOBPVBFSZ-UHFFFAOYSA-N |
Product Overview
Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside (CAS 6631-63-6), with molecular formula C23H28O12 and molecular weight 496.16 g/mol. IUPAC: [2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxyoxolan-2-yl)propyl] acetate.
Chemical Property Profile of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside
Property Insights of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside. The TPSA of 150.0 Ų indicates high polarity, suggesting Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside?
The CAS number of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside is 6631-63-6.
What is the molecular formula of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside?
The molecular formula of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside is C23H28O12.
What is the molecular weight of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside?
The molecular weight of Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside is 496.16 g/mol.
Where can I buy Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside?
You can request a quote for Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,3,5,6,7-penta-O-acetylheptofuranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.