Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
TL;DR: Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester (CAS 119111-31-8) is a chemical compound with molecular formula C17H24O10 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl)methyl acetate
Also Known As: ALLYL-TETRA-O-ACETYL-BETA-D-, Allyl 2,3,4,6-tetra-O-acetylhexopyranoside #, Allyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside, S07-0023, acetic acid (3,4,5-triacetyloxy-6-prop-2-enoxy-2-oxanyl)methyl ester
| Molecular Formula | C17H24O10 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 388.13693 |
| Heavy Atoms | 27 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 119111-31-8 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCC=C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | CRUHDGOVWKFJBM-UHFFFAOYSA-N |
Product Overview
Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester (CAS 119111-31-8), with molecular formula C17H24O10 and molecular weight 388.14 g/mol. IUPAC: (3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl)methyl acetate.
Chemical Property Profile of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
Property Insights of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester. Following Lipinski's Rule of Five, Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester?
The CAS number of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester is 119111-31-8.
What is the molecular formula of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester?
The molecular formula of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester is C17H24O10.
What is the molecular weight of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester?
The molecular weight of Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester is 388.14 g/mol.
Where can I buy Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester?
You can request a quote for Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.