Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
TL;DR: Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- (CAS 85797-12-2) is a chemical compound with molecular formula C34H40O16 and molecular weight 704.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[19-(dimethoxymethyl)-10,13,17-trihydroxy-6-methoxy-3-methyl-11-oxospiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-8-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
Also Known As: Trioxacarcin A(sub 1), DC-45 A(sub 1), Antibiotic DC 45A(sub 1), 13-O-De(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)trioxacarcin A, Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
| Molecular Formula | C34H40O16 |
|---|---|
| Molecular Weight | 704.23 g/mol |
| LogP | 1.32032 |
| Topological Polar Surface Area | 210.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 704.2316 |
| Heavy Atoms | 50 |
| Complexity | 1799.3877 |
Chemical Identifiers
| CAS Number | 85797-12-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C(C=C(C5=C4OC6(C7C5OC(C68CO8)(O7)C(OC)OC)O)C)C(=C23)OC)O)O)(C)O)OC(=O)C |
Product Overview
Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- (CAS 85797-12-2), with molecular formula C34H40O16 and molecular weight 704.23 g/mol. IUPAC: [6-[19-(dimethoxymethyl)-10,13,17-trihydroxy-6-methoxy-3-methyl-11-oxospiro[16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaene-18,2'-oxirane]-8-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate.
Chemical Property Profile of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
Property Insights of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
The XLogP value of 1.32032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-. The TPSA of 210.66 Ų indicates high polarity, suggesting Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-?
The CAS number of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- is 85797-12-2.
What is the molecular formula of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-?
The molecular formula of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- is C34H40O16.
What is the molecular weight of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-?
The molecular weight of Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- is 704.23 g/mol.
Where can I buy Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-?
You can request a quote for Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-?
Yes, KEHONG BIO provides custom synthesis services for Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.