![Benzo[a]naphthacene, D-alanine deriv. structure](/static/products/1536/153619-18-2.webp)
Benzo[a]naphthacene, D-alanine deriv.
TL;DR: Benzo[a]naphthacene, D-alanine deriv. (CAS 153619-18-2) is a chemical compound with molecular formula C45H57N4O18+ and molecular weight 941.36676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5S,6S)-4-amino-2-[[(1R)-1-carboxyethyl]carbamoyl]-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-10-yl]methyl-trimethylazanium
Also Known As: Benzo[a]naphthacene, D-alanine deriv., D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-10-((trimethylammonio)methyl)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, [(5S,6S)-4-amino-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]carbamoyl]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-10-yl]methyl-trimethylazanium, [(5S,6S)-4-amino-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-10-yl]methyl-trimethyl-ammonium, D-Alanine, N-[[4-amino-5-[[4,6-dideoxy-4-(dimethylamino)-3-O-.beta.-D-xylopyranosyl-.beta.-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-10-[(trimethylammonio)methyl]benzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-
Technical Specifications
| Molecular Formula | C45H57N4O18+ |
| Molecular Weight | 941.36676 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 338.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 941.36676 Da |
| Heavy Atoms | 67 |
| Complexity | 1820.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C(C(=C(C(=C25)N)C)C(=O)N[C@H](C)C(=O)O)O)O)C(=O)C6=CC(=C(C(=C6C4=O)O)C[N+](C)(C)C)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)N(C)C |
| InChIKey | KOYHAARAHGXYNN-IHEAHZCQSA-O |
Chemical Property Profile of Benzo[a]naphthacene, D-alanine deriv.
Property Insights of Benzo[a]naphthacene, D-alanine deriv.
The XLogP value of -2.2 indicates that Benzo[a]naphthacene, D-alanine deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.0 Ų indicates high polarity, suggesting Benzo[a]naphthacene, D-alanine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo[a]naphthacene, D-alanine deriv. has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzo[a]naphthacene, D-alanine deriv.?
The CAS number of Benzo[a]naphthacene, D-alanine deriv. is 153619-18-2.
What is the molecular formula of Benzo[a]naphthacene, D-alanine deriv.?
The molecular formula of Benzo[a]naphthacene, D-alanine deriv. is C45H57N4O18+.
What is the molecular weight of Benzo[a]naphthacene, D-alanine deriv.?
The molecular weight of Benzo[a]naphthacene, D-alanine deriv. is 941.36676 g/mol.
Where can I buy Benzo[a]naphthacene, D-alanine deriv.?
You can request a quote for Benzo[a]naphthacene, D-alanine deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo[a]naphthacene, D-alanine deriv.?
Yes, CoreyChem provides custom synthesis services for Benzo[a]naphthacene, D-alanine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.