Vineomycin B2
TL;DR: Vineomycin B2 (CAS 80928-52-5) is a chemical compound with molecular formula C49H58O18 and molecular weight 934.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid
Also Known As: Vineomycin B2, OS-4742B2, (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid, (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]ox, 2-Anthracenebutanoic acid, 6-(2,6-dideoxy-4-O-(5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-arabino-hexopyranosyl)-beta-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-9,10-dihydro-1,5-dihyd roxy-beta-methyl-9,10-dioxo-
| Molecular Formula | C49H58O18 |
|---|---|
| Molecular Weight | 934.36 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 934.3623 |
| Heavy Atoms | 67 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 80928-52-5 |
|---|---|
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)C)O[C@H]8C=CC(=O)[C@@H](O8)C |
| InChIKey | NIXHEPPGVVKFMQ-SVDKGFTASA-N |
Product Overview
Vineomycin B2 (CAS 80928-52-5), with molecular formula C49H58O18 and molecular weight 934.36 g/mol. IUPAC: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid.
Chemical Property Profile of Vineomycin B2
Property Insights of Vineomycin B2
The XLogP value of 5.0 indicates that Vineomycin B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting Vineomycin B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vineomycin B2 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 Vineomycin B2?
The CAS number of Vineomycin B2 is 80928-52-5.
What is the molecular formula of Vineomycin B2?
The molecular formula of Vineomycin B2 is C49H58O18.
What is the molecular weight of Vineomycin B2?
The molecular weight of Vineomycin B2 is 934.36 g/mol.
Where can I buy Vineomycin B2?
You can request a quote for Vineomycin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vineomycin B2?
Yes, KEHONG BIO provides custom synthesis services for Vineomycin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.