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

(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID9860100

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate [ACD/IUPAC Name]
(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (2R,3S,6S,7R,8R)-3-[(3-formamido-2-méthoxybenzoyl)amino]-8-hexyl-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
118890-40-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 377.72
ACD/KOC (pH 5.5): 2434.09
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 377.72
ACD/KOC (pH 7.4): 2434.11
Polar Surface Area: 146 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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