beta-D-digitalopyranose
TL;DR: beta-D-digitalopyranose (CAS 4481-08-7) is a chemical compound with molecular formula C7H14O5 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
Also Known As: beta-D-Digitalopyranose, Digitalose, GlyTouCan:G81572AY, 6-Deoxy-3-O-methylhexopyranose, .BETA.-D-DIGITALOPYRANOSE
| Molecular Formula | C7H14O5 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.08412 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4481-08-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O |
| InChIKey | OEKPKBBXXDGXNB-IBISWUOJSA-N |
Product Overview
beta-D-digitalopyranose (CAS 4481-08-7), with molecular formula C7H14O5 and molecular weight 178.08 g/mol. IUPAC: (2R,3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol.
Chemical Property Profile of beta-D-digitalopyranose
Property Insights of beta-D-digitalopyranose
The XLogP value of -1.6 indicates that beta-D-digitalopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-digitalopyranose. Following Lipinski's Rule of Five, beta-D-digitalopyranose has 3 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 beta-D-digitalopyranose?
The CAS number of beta-D-digitalopyranose is 4481-08-7.
What is the molecular formula of beta-D-digitalopyranose?
The molecular formula of beta-D-digitalopyranose is C7H14O5.
What is the molecular weight of beta-D-digitalopyranose?
The molecular weight of beta-D-digitalopyranose is 178.08 g/mol.
Where can I buy beta-D-digitalopyranose?
You can request a quote for beta-D-digitalopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-digitalopyranose?
Yes, KEHONG BIO provides custom synthesis services for beta-D-digitalopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.