3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin
TL;DR: 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin (CAS 130693-97-9) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.17914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9S)-9-acetyl-7-[(2R,4R,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin, (3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-amino-2,4,6-trideoxy-alpha-L-xylo-hexopyranoside, (9S)-9-acetyl-7-[(2R,4R,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-amino-2,4,6-trideoxyhexopyranoside
Technical Specifications
| Molecular Formula | C27H29NO10 |
| Molecular Weight | 527.17914 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.17914 Da |
| Heavy Atoms | 38 |
| Complexity | 960.0 |
| SMILES | C[C@H]1[C@H]([C@@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)N |
| InChIKey | QZPNRZCIKJBKCV-BGTRZWTDSA-N |
Chemical Property Profile of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin
Property Insights of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin?
The CAS number of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin is 130693-97-9.
What is the molecular formula of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin?
The molecular formula of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin is C27H29NO10.
What is the molecular weight of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin?
The molecular weight of 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin is 527.17914 g/mol.
Where can I buy 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin?
You can request a quote for 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin?
Yes, CoreyChem provides custom synthesis services for 3'-Deamino-3'-epi-hydroxy-4'-deoxy-4'-amino-daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.