2-Demethylsteffimycin D
TL;DR: 2-Demethylsteffimycin D (CAS 132354-18-8) is a chemical compound with molecular formula C27H30O12 and molecular weight 546.1737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,4,6,9-tetrahydroxy-8-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 2-Demethylsteffimycin D, 7-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,4,6,9-tetrahydroxy-8-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione, 10-((6-Deoxy-2-O-methyl-alpha-L-mannopyranosyl)oxy)-7,8,9,10-tetrahydro-1,3,8,11-tetrahydroxy-9-methoxy-8-methyl-5,12-naphthacenedione, 5,12-Naphthacenedione, 10-((6-deoxy-2-O-methyl-alpha-L-mannopyranosyl)oxy)-7,8,9,10-tetrahydro-1,3,8,11-tetrahydroxy-9-methoxy-8-methyl-, 3,8,10,12-Tetrahydroxy-2-methoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 6-deoxy-2-O-methylhexopyranoside
Technical Specifications
| Molecular Formula | C27H30O12 |
| Molecular Weight | 546.1737 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.1737 Da |
| Heavy Atoms | 39 |
| Complexity | 946.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)O)(C)O)OC)OC)O)O |
| InChIKey | MGNUINXAJYRUGK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Demethylsteffimycin D
Property Insights of 2-Demethylsteffimycin D
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Demethylsteffimycin D. The TPSA of 192.0 Ų indicates high polarity, suggesting 2-Demethylsteffimycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Demethylsteffimycin D has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Demethylsteffimycin D?
The CAS number of 2-Demethylsteffimycin D is 132354-18-8.
What is the molecular formula of 2-Demethylsteffimycin D?
The molecular formula of 2-Demethylsteffimycin D is C27H30O12.
What is the molecular weight of 2-Demethylsteffimycin D?
The molecular weight of 2-Demethylsteffimycin D is 546.1737 g/mol.
Where can I buy 2-Demethylsteffimycin D?
You can request a quote for 2-Demethylsteffimycin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Demethylsteffimycin D?
Yes, CoreyChem provides custom synthesis services for 2-Demethylsteffimycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.