6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate
TL;DR: 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate (CAS 86160-72-7) is a chemical compound with molecular formula C29H30O15 and molecular weight 618.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methyl acetate
Also Known As: 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate, Naphtho(2,3-c)furan-1(3H)-one, 9-(acetyloxy)-6-methoxy-8-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methyl acetate, 7-methoxy-3-oxo-5-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate, 7-Methoxy-3-oxo-5-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate
| Molecular Formula | C29H30O15 |
|---|---|
| Molecular Weight | 618.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 618.15845 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 86160-72-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C3C(=CC(=C2)OC)C=C4COC(=O)C4=C3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | LSZMYYAZXKHJAG-PIQHLTMMSA-N |
Product Overview
6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate (CAS 86160-72-7), with molecular formula C29H30O15 and molecular weight 618.16 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate
Property Insights of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate. The TPSA of 185.0 Ų indicates high polarity, suggesting 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate?
The CAS number of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate is 86160-72-7.
What is the molecular formula of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate?
The molecular formula of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate is C29H30O15.
What is the molecular weight of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate?
The molecular weight of 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate is 618.16 g/mol.
Where can I buy 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate?
You can request a quote for 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxysorigenin-8-O-beta-D-glucopyranoside pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.