2-amino-2-deoxyglucosyldaunomycinone Hydrochloride
TL;DR: 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride (CAS 64397-29-1) is a chemical compound with molecular formula C27H30ClNO12 and molecular weight 595.15 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,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy -1-methoxy-, hydrochloride, (8S-cis)-, 8-Acetyl-10-((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy -1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-, (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-amino-2-deoxy-beta-D-glucopyranoside--hydrogen chloride (1/1), (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C27H30ClNO12 |
|---|---|
| Molecular Weight | 595.15 g/mol |
| LogP | -0.6061 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 595.1456 |
| Heavy Atoms | 41 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 64397-29-1 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)N)O.Cl |
| InChIKey | RVKXCQXUICPIDB-VGSAUYMBSA-N |
Product Overview
2-amino-2-deoxyglucosyldaunomycinone Hydrochloride (CAS 64397-29-1), with molecular formula C27H30ClNO12 and molecular weight 595.15 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride
Property Insights of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride
The XLogP value of -0.6061 indicates that 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride?
The CAS number of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride is 64397-29-1.
What is the molecular formula of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride?
The molecular formula of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride is C27H30ClNO12.
What is the molecular weight of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride?
The molecular weight of 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride is 595.15 g/mol.
Where can I buy 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride?
You can request a quote for 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-2-deoxyglucosyldaunomycinone Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.