ChemSpider 2D Image | [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate | C28H40N2O9

[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID8052382

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
ANTIMYCIN A1A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1456.40
ACD/KOC (pH 5.5): 6375.94
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 795.09
ACD/KOC (pH 7.4): 3480.81
Polar Surface Area: 157 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

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