5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose
TL;DR: 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose (CAS 74580-94-2) is a chemical compound with molecular formula C17H22O9S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(methoxycarbonyloxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
Also Known As: 5-O-CARBOMETHOXY-1,2-O-ISO-PROPYLIDENE-3-O-(P-TOLYL-SULFONYL)-ALPHA-D-XYLOFURANOSE, 5-O-CARBOMETHOXY-1,2-O-ISOPROPYLIDENE-3-O-P-TOLUENESULFONYL-A-D-XYLOFURANOSE, 5-O-Carbomethoxy-1,2,O-isopropylidene-3-O-(p-tolylsulfonyl)-D-xylofuranose, [5-(methoxycarbonyloxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
| Molecular Formula | C17H22O9S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.09845 |
| Heavy Atoms | 27 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 74580-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)COC(=O)OC |
| InChIKey | GWIBCLYQHGMNAQ-UHFFFAOYSA-N |
Product Overview
5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose (CAS 74580-94-2), with molecular formula C17H22O9S and molecular weight 402.10 g/mol. IUPAC: [5-(methoxycarbonyloxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose
Property Insights of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose. Following Lipinski's Rule of Five, 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose has 0 hydrogen bond donor(s) and 9 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 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose?
The CAS number of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose is 74580-94-2.
What is the molecular formula of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose?
The molecular formula of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose is C17H22O9S.
What is the molecular weight of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose?
The molecular weight of 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose is 402.10 g/mol.
Where can I buy 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose?
You can request a quote for 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose?
Yes, KEHONG BIO provides custom synthesis services for 5-O-Carbomethoxy-1,2-O-isopropylidene-3-O-P-toluenesulfonyl-A-D-xylofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.