7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin
TL;DR: 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin (CAS 66145-82-2) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Hexadecyl nicotinate, 2 -Hydroxydaunorubicin, 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-3,6-dideoxy-alpha-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | -0.0003 |
| Topological Polar Surface Area | 206.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 1404.8326 |
Chemical Identifiers
| CAS Number | 66145-82-2 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)N)O |
Product Overview
7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin (CAS 66145-82-2), with molecular formula C27H29NO11 and molecular weight 543.17 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin
Property Insights of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin
The XLogP value of -0.0003 indicates that 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.07 Ų indicates high polarity, suggesting 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin?
The CAS number of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin is 66145-82-2.
What is the molecular formula of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin?
The molecular formula of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin is C27H29NO11.
What is the molecular weight of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin?
The molecular weight of 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin is 543.17 g/mol.
Where can I buy 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin?
You can request a quote for 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 7-O-(3,6-Didesoxy-3-amino-alpha-D-mannopyranosyl)-daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.