1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose
TL;DR: 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose (CAS 39686-83-4) is a chemical compound with molecular formula C12H22O12S3 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-[(6S)-2,2-dimethyl-6-methylsulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] methanesulfonate
Also Known As: 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose, Glucofuranose, 1,2-O-isopropylidene-3,5,6-tri-O-methylsulfonyl-, D-, alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, trimethanesulfonate, .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, trimethanesulfonate, [(2R)-2-[(6S)-2,2-dimethyl-6-methylsulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] methanesulfonate
| Molecular Formula | C12H22O12S3 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.02734 |
| Heavy Atoms | 27 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 39686-83-4 |
|---|---|
| SMILES | CC1(OC2[C@H](C(OC2O1)[C@@H](COS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)C |
| InChIKey | POCSFDKCXYULQS-PCHNWVTGSA-N |
Product Overview
1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose (CAS 39686-83-4), with molecular formula C12H22O12S3 and molecular weight 454.03 g/mol. IUPAC: [(2R)-2-[(6S)-2,2-dimethyl-6-methylsulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] methanesulfonate.
Chemical Property Profile of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose
Property Insights of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose
The XLogP value of -1.3 indicates that 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose?
The CAS number of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose is 39686-83-4.
What is the molecular formula of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose?
The molecular formula of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose is C12H22O12S3.
What is the molecular weight of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose?
The molecular weight of 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose is 454.03 g/mol.
Where can I buy 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose?
You can request a quote for 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose?
Yes, KEHONG BIO provides custom synthesis services for 1,2-O-Isopropylidene-3,5,6-tri-O-methylsulfonyl-alpha-D-glucofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.