((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate
TL;DR: ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate (CAS 58871-05-9) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate
Also Known As: 6-O-Benzoyl-D-glucal, ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate, (3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl Benzoate
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 0.4777 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 428.26755 |
Chemical Identifiers
| CAS Number | 58871-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)O)O |
Product Overview
((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate (CAS 58871-05-9), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: (3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate.
Chemical Property Profile of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate
Property Insights of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate
The XLogP value of 0.4777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate. Following Lipinski's Rule of Five, ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate has 2 hydrogen bond donor(s) and 5 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 ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate?
The CAS number of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate is 58871-05-9.
What is the molecular formula of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate?
The molecular formula of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate is C13H14O5.
What is the molecular weight of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate?
The molecular weight of ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate is 250.08 g/mol.
Where can I buy ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate?
You can request a quote for ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for ((2R,3S,4R)-3,4-Dihydroxy-3,4-dihydro-2H-pyran-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.