ChemSpider 2D Image | TOYOMYCIN | C56H80O27

TOYOMYCIN

  • Molecular FormulaC56H80O27
  • Average mass1185.218 Da
  • Monoisotopic mass1184.488647 Da
  • ChemSpider ID16735739

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-1-C-[(2S,3S)-3-{[4-O-Acetyl-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy}-7-{[4-O-carbo xy-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-5-deoxy-1-O-methyl-D-xylulose [ACD/IUPAC Name]
(1S)-1-C-[(2S,3S)-3-{[4-O-Acetyl-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy}-7-{[4-O-carboxy-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-5-deoxy-1-O-methyl-D-xylulose
(1S)-1-C-[(2S,3S)-3-{[4-O-Acetyl-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy}-7-{[4-O-carboxy-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methyl-D-xylulose
(1S)-1-C-[(2S,3S)-3-{[4-O-Acétyl-2,6-didésoxy-3-C-méthyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-didésoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-didésoxy-β-D-arabino-hexopyranosyl]oxy}-7-{[4-O-ca rboxy-2,6-didésoxy-3-O-(2,6-didésoxy-4-O-méthyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl]-5-désoxy-1-O-méthyl-D-xylulos e [French] [ACD/IUPAC Name]
230-348-0 [EINECS]
3B-O-(4-O-Acetyl-2,6-dideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-7-methylolivomycin D
7059-24-7 [RN]
Aburamycin B
Antibiotic 69895 A
Antibiotic B 599
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 2755 [DBID]
NSC 58514 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1177.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.5±3.0 kJ/mol
Flash Point: 321.3±30.6 °C
Index of Refraction: 1.618
Molar Refractivity: 283.2±0.4 cm3
#H bond acceptors: 27
#H bond donors: 9
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 380 Å2
Polarizability: 112.3±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 808.4±5.0 cm3

Click to predict properties on the Chemicalize site


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