ChemSpider 2D Image | (2S)-2-{[(2R)-2-(2-{[2-(2-Hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(1H-indol-3-yl)propyl 6-heptenoate | C29H41N3O6

(2S)-2-{[(2R)-2-(2-{[2-(2-Hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(1H-indol-3-yl)propyl 6-heptenoate

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID5038318

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[(2R)-2-(2-{[2-(2-Hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(1H-indol-3-yl)propyl 6-heptenoate [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-(2-{[2-(2-Hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(1H-indol-3-yl)propyl-6-heptenoat [German] [ACD/IUPAC Name]
6-Hepténoate de (2S)-2-{[(2R)-2-(2-{[2-(2-hydroxyéthoxy)éthyl]amino}-2-oxoéthyl)-4-pentenoyl]amino}-3-(1H-indol-3-yl)propyle [French] [ACD/IUPAC Name]
6-Heptenoic acid, (2S)-2-[[(2R)-2-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-(1H-indol-3-yl)propyl ester [ACD/Index Name]
AML1_000579

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

Density: 1.2±0.1 g/cm3
Boiling Point: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 428.9±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.21
ACD/KOC (pH 5.5): 1539.76
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.21
ACD/KOC (pH 7.4): 1539.76
Polar Surface Area: 130 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

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