Basic information
- CAS
80928-52-5- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@](C)(CC(=O)O)O[C@H]6CC[C@H](O[C@H]7C=CC(=O)[C@H](C)O7)[C@H](C)O6)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)C=CC1=O- InChIKey
NIXHEPPGVVKFMQ-JGKBENRTSA-N- Molecular formula
- C49H58O18
- Average molar mass
- 935 g/mol
- Monoisotopic mass
- 934.362315
Overview
Vineomycin B2 is an anthraquinone.
Names & identifiers
- Preferred name
- Vineomycin B2
- 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
- English name
- vineomycin B2
- Molecular formula
- C49H58O18
- Molecular weight
- 934.97
Names & synonyms
Vineomycin B280928-52-5RefChem:9340412-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-dihydroxy-beta-methyl-9,10-dioxo-4-(1,5-dihydroxy-6-(4-hydroxy-6-methyl-5-(6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)oxyoxan-2-yl)-9,10-dioxoanthracen-2-yl)-3-methyl-3-(6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)oxybutanoic acidOS-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 acidCHEBI:2137432-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-
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 13
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,890
Physicochemical properties
- form
- solid
- color
- Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P280
- HS Code
- 2941900000 · 2941900000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2941900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P280
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
APOLLO-NMR[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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