C43H53NO17.3/2H2O
TL;DR: C43H53NO17.3/2H2O (CAS 81975-90-8) is a chemical compound with molecular formula C43H53NO17 and molecular weight 855.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[4-(dimethylamino)-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate
Also Known As: C43H53NO17.3/2H2O, C43-H53-N-O17.3/2H2-O, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, [6-[4-(dimethylamino)-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranoside
| Molecular Formula | C43H53NO17 |
|---|---|
| Molecular Weight | 855.33 g/mol |
| LogP | 2.1744 |
| Topological Polar Surface Area | 243.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 855.33136 |
| Heavy Atoms | 61 |
| Complexity | 2086.7432 |
Chemical Identifiers
| CAS Number | 81975-90-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C |
Product Overview
C43H53NO17.3/2H2O (CAS 81975-90-8), with molecular formula C43H53NO17 and molecular weight 855.33 g/mol. IUPAC: [6-[4-(dimethylamino)-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate.
Chemical Property Profile of C43H53NO17.3/2H2O
Property Insights of C43H53NO17.3/2H2O
The XLogP value of 2.1744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C43H53NO17.3/2H2O. The TPSA of 243.35 Ų indicates high polarity, suggesting C43H53NO17.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C43H53NO17.3/2H2O has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C43H53NO17.3/2H2O?
The CAS number of C43H53NO17.3/2H2O is 81975-90-8.
What is the molecular formula of C43H53NO17.3/2H2O?
The molecular formula of C43H53NO17.3/2H2O is C43H53NO17.
What is the molecular weight of C43H53NO17.3/2H2O?
The molecular weight of C43H53NO17.3/2H2O is 855.33 g/mol.
Where can I buy C43H53NO17.3/2H2O?
You can request a quote for C43H53NO17.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C43H53NO17.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C43H53NO17.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.