ChemSpider 2D Image | (2S,3S,6R,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl 3-methylbutanoate | C27H38N2O9

(2S,3S,6R,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl 3-methylbutanoate

  • Molecular FormulaC27H38N2O9
  • Average mass534.599 Da
  • Monoisotopic mass534.257751 Da
  • ChemSpider ID4449995

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.44
ACD/KOC (pH 5.5): 3709.79
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 373.11
ACD/KOC (pH 7.4): 2025.27
Polar Surface Area: 157 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 431.1±5.0 cm3

Click to predict properties on the Chemicalize site


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