Antibiotic DC 45A
TL;DR: Antibiotic DC 45A (CAS 81552-36-5) is a chemical compound with molecular formula C42H52O20 and molecular weight 876.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-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, Antibiotic DC 45A, [6-[17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-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, 6-((13a'-((5-acetyl-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2'-(dimethoxymethyl)-10',12'-dihydroxy-7'-methoxy-5'-methyl-11'-oxo-3a',8',9',10',11',13a'-hexahydro-2'H,4'H-spiro[oxirane-2,1'-[2,4]epoxyfuro[3,2-b]naphtho[2,3-h]chromen]-8'-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate
| Molecular Formula | C42H52O20 |
|---|---|
| Molecular Weight | 876.31 g/mol |
| LogP | 1.16052 |
| Topological Polar Surface Area | 266.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 876.3052 |
| Heavy Atoms | 62 |
| Complexity | 2204.584 |
Chemical Identifiers
| CAS Number | 81552-36-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C(C=C(C5=C4OC6(C7C5OC(C68CO8)(O7)C(OC)OC)OC9CC(C(C(O9)C)(C(=O)C)O)O)C)C(=C23)OC)O)O)(C)O)OC(=O)C |
Product Overview
Antibiotic DC 45A (CAS 81552-36-5), with molecular formula C42H52O20 and molecular weight 876.31 g/mol. IUPAC: [6-[17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-19-(dimethoxymethyl)-10,13-dihydroxy-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 Antibiotic DC 45A
Property Insights of Antibiotic DC 45A
The XLogP value of 1.16052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibiotic DC 45A. The TPSA of 266.42 Ų indicates high polarity, suggesting Antibiotic DC 45A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic DC 45A has 5 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic DC 45A?
The CAS number of Antibiotic DC 45A is 81552-36-5.
What is the molecular formula of Antibiotic DC 45A?
The molecular formula of Antibiotic DC 45A is C42H52O20.
What is the molecular weight of Antibiotic DC 45A?
The molecular weight of Antibiotic DC 45A is 876.31 g/mol.
Where can I buy Antibiotic DC 45A?
You can request a quote for Antibiotic DC 45A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic DC 45A?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic DC 45A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.