N-Acetylbenanomicin B
TL;DR: N-Acetylbenanomicin B (CAS 132915-95-8) is a chemical compound with molecular formula C41H44N2O19 and molecular weight 868.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-acetamido-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]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: N-Acetylbenanomicin B, Benzo[a]naphthacene, D-alanine deriv., D-Alanine, N-((5-((4-(acetylamino)-4,6-dideoxy-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-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-acetamido-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]tetracene-2-carbonyl]amino]propanoic acid, (2R)-2-(((5S,6S)-5-((2S,3R,4S,5S,6R)-5-acetamido-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)tetracene-2-carbonyl)amino)propanoic acid
| Molecular Formula | C41H44N2O19 |
|---|---|
| Molecular Weight | 868.25 g/mol |
| LogP | -0.69498 |
| Topological Polar Surface Area | 337.63 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 868.25385 |
| Heavy Atoms | 62 |
| Complexity | 2384.4727 |
Chemical Identifiers
| CAS Number | 132915-95-8 |
|---|---|
| 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=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC(=O)C |
Product Overview
N-Acetylbenanomicin B (CAS 132915-95-8), with molecular formula C41H44N2O19 and molecular weight 868.25 g/mol. IUPAC: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-acetamido-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]tetracene-2-carbonyl]amino]propanoic acid.
Chemical Property Profile of N-Acetylbenanomicin B
Property Insights of N-Acetylbenanomicin B
The XLogP value of -0.69498 indicates that N-Acetylbenanomicin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.63 Ų indicates high polarity, suggesting N-Acetylbenanomicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylbenanomicin B has 11 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 N-Acetylbenanomicin B?
The CAS number of N-Acetylbenanomicin B is 132915-95-8.
What is the molecular formula of N-Acetylbenanomicin B?
The molecular formula of N-Acetylbenanomicin B is C41H44N2O19.
What is the molecular weight of N-Acetylbenanomicin B?
The molecular weight of N-Acetylbenanomicin B is 868.25 g/mol.
Where can I buy N-Acetylbenanomicin B?
You can request a quote for N-Acetylbenanomicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylbenanomicin B?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylbenanomicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.