![(2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](/static/products/9616/96165-55-8.webp)
(2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
TL;DR: (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 96165-55-8) is a chemical compound with molecular formula C23H32O12 and molecular weight 500.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, (3alpha,4alpha)-15-(acetyloxy)-12,13-epoxy-4-hydroxytrichothec-9-en-3-yl-, 15-(Acetyloxy)-4-hydroxy-12,13-epoxytrichothec-9-en-3-yl hexopyranosiduronic acid, (12xi)-15-(acetyloxy)-4-hydroxy-12,13-epoxytrichothec-9-en-3-yl beta-D-allopyranosiduronic acid
| Molecular Formula | C23H32O12 |
|---|---|
| Molecular Weight | 500.19 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.18936 |
| Heavy Atoms | 35 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 96165-55-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(C(C([C@H](C34CO4)O2)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)COC(=O)C |
| InChIKey | FUQDGPALZQHINQ-FUSUETAJSA-N |
Product Overview
(2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 96165-55-8), with molecular formula C23H32O12 and molecular weight 500.19 g/mol. IUPAC: (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Property Insights of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
The XLogP value of -1.7 indicates that (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid has 5 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 (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The CAS number of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 96165-55-8.
What is the molecular formula of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular formula of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is C23H32O12.
What is the molecular weight of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular weight of (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 500.19 g/mol.
Where can I buy (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
You can request a quote for (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S,4R,5R,6R)-6-[(1S,2R,7R,9R)-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.