Sorinin heptaacetate
TL;DR: Sorinin heptaacetate (CAS 86160-73-8) is a chemical compound with molecular formula C37H40O20 and molecular weight 804.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-acetyloxy-3-oxo-1H-benzo[f][2]benzofuran-5-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate
Also Known As: Sorinin heptaacetate, Naphtho(2,3-c)furan-1(3H)-one, 9-(acetyloxy)-8-((2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-beta-D-glucopyranosyl)oxy)-, [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-acetyloxy-3-oxo-1H-benzo[f][2]benzofuran-5-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate, 3-Oxo-5-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate, 3-Oxo-5-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate
| Molecular Formula | C37H40O20 |
|---|---|
| Molecular Weight | 804.21 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Exact Mass | 804.2113 |
| Heavy Atoms | 57 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 86160-73-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC4=CC5=C(C(=C43)OC(=O)C)C(=O)OC5)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | OSWKXFLBRXHYQR-SPYVABCUSA-N |
Product Overview
Sorinin heptaacetate (CAS 86160-73-8), with molecular formula C37H40O20 and molecular weight 804.21 g/mol. IUPAC: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-acetyloxy-3-oxo-1H-benzo[f][2]benzofuran-5-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate.
Chemical Property Profile of Sorinin heptaacetate
Property Insights of Sorinin heptaacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sorinin heptaacetate. The TPSA of 247.0 Ų indicates high polarity, suggesting Sorinin heptaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sorinin heptaacetate has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sorinin heptaacetate?
The CAS number of Sorinin heptaacetate is 86160-73-8.
What is the molecular formula of Sorinin heptaacetate?
The molecular formula of Sorinin heptaacetate is C37H40O20.
What is the molecular weight of Sorinin heptaacetate?
The molecular weight of Sorinin heptaacetate is 804.21 g/mol.
Where can I buy Sorinin heptaacetate?
You can request a quote for Sorinin heptaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorinin heptaacetate?
Yes, KEHONG BIO provides custom synthesis services for Sorinin heptaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.