ChemSpider 2D Image | (3S)-4-({3-[(2-Acetoxyethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl pivalate | C18H32N2O7

(3S)-4-({3-[(2-Acetoxyethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl pivalate

  • Molecular FormulaC18H32N2O7
  • Average mass388.456 Da
  • Monoisotopic mass388.220947 Da
  • ChemSpider ID62563703

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-({3-[(2-Acetoxyethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl pivalate [ACD/IUPAC Name]
(3S)-4-({3-[(2-Acetoxyethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutylpivalat [German] [ACD/IUPAC Name]
Pivalate de (3S)-4-({3-[(2-acétoxyéthyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-diméthyl-4-oxobutyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (3S)-4-[[3-[[2-(acetyloxy)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 313.1±30.1 °C
Index of Refraction: 1.482
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 107.62
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 107.62
Polar Surface Area: 131 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

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