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

(2S,3R,6R,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate (non-preferred name)

  • Molecular FormulaC27H38N2O9
  • Average mass534.599 Da
  • Monoisotopic mass534.257751 Da
  • ChemSpider ID59702451

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,6R,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,6R,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylbutyrat (non-preferred name) [German] [ACD/IUPAC Name]
Butyrate de (2S,3R,6R,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle (non-preferred name) [French] [ACD/IUPAC Name]
E'Antimycin A2'

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 411.2±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 861.37
ACD/KOC (pH 5.5): 4378.05
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 470.25
ACD/KOC (pH 7.4): 2390.11
Polar Surface Area: 157 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 430.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement