4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol
TL;DR: 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol (CAS 134121-14-5) is a chemical compound with molecular formula C13H22O8 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-acetyloxy-4,5-dimethoxyoxan-2-yl)methoxy]acetate
Also Known As: 4-Ammmg, methyl 2-[(3-acetyloxy-4,5-dimethoxyoxan-2-yl)methoxy]acetate, 4-O-Acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol, 3-O-acetyl-2,6-anhydro-1-O-(2-methoxy-2-oxoethyl)-4,5-di-O-methylhexitol, D-Glucitol, 1,5-anhydro-6-O-(2-methoxy-2-oxoethyl)-2,3-di-O-methyl-, acetate
| Molecular Formula | C13H22O8 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 306.13147 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 134121-14-5 |
|---|---|
| SMILES | CC(=O)OC1C(OCC(C1OC)OC)COCC(=O)OC |
| InChIKey | JNQZWDRCIIILNU-UHFFFAOYSA-N |
Product Overview
4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol (CAS 134121-14-5), with molecular formula C13H22O8 and molecular weight 306.13 g/mol. IUPAC: methyl 2-[(3-acetyloxy-4,5-dimethoxyoxan-2-yl)methoxy]acetate.
Chemical Property Profile of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol
Property Insights of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol
The XLogP value of -0.5 indicates that 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol. Following Lipinski's Rule of Five, 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol has 0 hydrogen bond donor(s) and 8 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 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol?
The CAS number of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol is 134121-14-5.
What is the molecular formula of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol?
The molecular formula of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol is C13H22O8.
What is the molecular weight of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol?
The molecular weight of 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol is 306.13 g/mol.
Where can I buy 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol?
You can request a quote for 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-acetyl-1,5-anhydro-O-(methoxycarbonylmethyl)di-O-methylglucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.