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Search term: 78438096 (Found by CSID)
ChemSpider 2D Image | (2R,3R,4Z)-5-[3-Amino-2-(butoxycarbonyl)phenyl]-3-hydroxy-4-penten-2-yl 2-furoate | C21H25NO6

(2R,3R,4Z)-5-[3-Amino-2-(butoxycarbonyl)phenyl]-3-hydroxy-4-penten-2-yl 2-furoate

  • Molecular FormulaC21H25NO6
  • Average mass387.426 Da
  • Monoisotopic mass387.168182 Da
  • ChemSpider ID78438096

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R,4Z)-5-[3-Amino-2-(butoxycarbonyl)phenyl]-3-hydroxy-4-penten-2-yl 2-furoate [ACD/IUPAC Name]
(2R,3R,4Z)-5-[3-Amino-2-(butoxycarbonyl)phenyl]-3-hydroxy-4-penten-2-yl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, (1R,2R,3Z)-4-[3-amino-2-(butoxycarbonyl)phenyl]-2-hydroxy-1-methyl-3-buten-1-yl ester [ACD/Index Name]
2-Furoate de (2R,3R,4Z)-5-[3-amino-2-(butoxycarbonyl)phényl]-3-hydroxy-4-pentén-2-yle [French] [ACD/IUPAC Name]
Pestalamine A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.1±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.19
ACD/KOC (pH 5.5): 2300.89
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.27
ACD/KOC (pH 7.4): 2301.42
Polar Surface Area: 112 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

Click to predict properties on the Chemicalize site


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