ChemSpider 2D Image | (4S,7S,10S,13S)-7-(2-Carboxyethyl)-4-(carboxymethyl)-13-(cyclobutylcarbonyl)-10-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid | C24H36N4O11

(4S,7S,10S,13S)-7-(2-Carboxyethyl)-4-(carboxymethyl)-13-(cyclobutylcarbonyl)-10-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid

  • Molecular FormulaC24H36N4O11
  • Average mass556.563 Da
  • Monoisotopic mass556.238037 Da
  • ChemSpider ID9505330

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,7S,10S,13S)-7-(2-Carboxyethyl)-4-(carboxymethyl)-13-(cyclobutylcarbonyl)-10-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid [ACD/IUPAC Name]
(4S,7S,10S,13S)-7-(2-Carboxyethyl)-4-(carboxymethyl)-13-(cyclobutylcarbonyl)-10-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-säure [German] [ACD/IUPAC Name]
Acide (4S,7S,10S,13S)-7-(2-carboxyéthyl)-4-(carboxyméthyl)-13-(cyclobutylcarbonyl)-10-isopropyl-2,5,8,11-tétraoxo-3,6,9,12-tétraazapentadécan-15-oïque [French] [ACD/IUPAC Name]
L-Valinamide, N-acetyl-L-α-aspartyl-L-α-glutamyl-N-[(1S)-1-(carboxymethyl)-2-cyclobutyl-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1044.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.4±6.0 kJ/mol
Flash Point: 585.2±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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