heptaacetylamygdalin
TL;DR: heptaacetylamygdalin (CAS 881-48-1) is a chemical compound with molecular formula C34H41NO18 and molecular weight 751.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[cyano(phenyl)methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Also Known As: heptaacetylamygdalin, phenyl{[2,3,4-tri-o-acetyl-6-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)hexopyranosyl]oxy}acetonitrile, [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[cyano(phenyl)methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate, [(6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY]PHENYLACETONITRILE, HEPTAACETATE, [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(cyano-phenyl-methoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
| Molecular Formula | C34H41NO18 |
|---|---|
| Molecular Weight | 751.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 21 |
| Exact Mass | 751.23236 |
| Heavy Atoms | 53 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 881-48-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | VOZGJFHALJQFKA-UHFFFAOYSA-N |
Product Overview
heptaacetylamygdalin (CAS 881-48-1), with molecular formula C34H41NO18 and molecular weight 751.23 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[cyano(phenyl)methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of heptaacetylamygdalin
Property Insights of heptaacetylamygdalin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for heptaacetylamygdalin. The TPSA of 245.0 Ų indicates high polarity, suggesting heptaacetylamygdalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, heptaacetylamygdalin has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of heptaacetylamygdalin?
The CAS number of heptaacetylamygdalin is 881-48-1.
What is the molecular formula of heptaacetylamygdalin?
The molecular formula of heptaacetylamygdalin is C34H41NO18.
What is the molecular weight of heptaacetylamygdalin?
The molecular weight of heptaacetylamygdalin is 751.23 g/mol.
Where can I buy heptaacetylamygdalin?
You can request a quote for heptaacetylamygdalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for heptaacetylamygdalin?
Yes, KEHONG BIO provides custom synthesis services for heptaacetylamygdalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.