Catalposide hexaacetate
TL;DR: Catalposide hexaacetate (CAS 75559-00-1) is a chemical compound with molecular formula C34H38O18 and molecular weight 734.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5S,6R,10S)-2-(acetyloxymethyl)-10-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-acetyloxybenzoate
Also Known As: Catalposide hexaacetate, Catalposide, hexaacetate, Catalposide hexaacetate [MI], beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-(acetyloxy)benzoyl)oxy)-1a-((acetyloxy)methyl)oxireno(4,5)cyclopenta(1,2-C)pyran-2-yl, tetraacetate, (1as-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-, .BETA.-D-GLUCOPYRANOSIDE, 1A,1B,2,5A,6,6A-HEXAHYDRO-6-((4-(ACETYLOXY)BENZOYL)OXY)-1A-((ACETYLOXY)METHYL)OXIRENO(4,5)CYCLOPENTA(1,2-C)PYRAN-2-YL, TETRAACETATE, (1AS-(1A.ALPHA.,1B.BETA.,2.BETA.,5A.BETA.,6.BETA.,6A.ALPHA.))-
| Molecular Formula | C34H38O18 |
|---|---|
| Molecular Weight | 734.21 g/mol |
| LogP | 1.0537 |
| Topological Polar Surface Area | 224.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 734.2058 |
| Heavy Atoms | 52 |
| Complexity | 1603.1624 |
Chemical Identifiers
| CAS Number | 75559-00-1 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](C=CO2)[C@@H]([C@H]4[C@@]3(O4)COC(=O)C)OC(=O)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Catalposide hexaacetate (CAS 75559-00-1), with molecular formula C34H38O18 and molecular weight 734.21 g/mol. IUPAC: [(1S,2S,4S,5S,6R,10S)-2-(acetyloxymethyl)-10-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-acetyloxybenzoate.
Chemical Property Profile of Catalposide hexaacetate
Property Insights of Catalposide hexaacetate
The XLogP value of 1.0537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catalposide hexaacetate. The TPSA of 224.32 Ų indicates high polarity, suggesting Catalposide hexaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catalposide hexaacetate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catalposide hexaacetate?
The CAS number of Catalposide hexaacetate is 75559-00-1.
What is the molecular formula of Catalposide hexaacetate?
The molecular formula of Catalposide hexaacetate is C34H38O18.
What is the molecular weight of Catalposide hexaacetate?
The molecular weight of Catalposide hexaacetate is 734.21 g/mol.
Where can I buy Catalposide hexaacetate?
You can request a quote for Catalposide hexaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catalposide hexaacetate?
Yes, KEHONG BIO provides custom synthesis services for Catalposide hexaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.