ChemSpider 2D Image | (2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID | C20H29NO3

(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID26329581

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4E,6E,8R,9R)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoic acid [ACD/IUPAC Name]
(2S,3R,4E,6E,8R,9R)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadiensäure [German] [ACD/IUPAC Name]
(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID
4,6-Decadienoic acid, 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-, (2S,3R,4E,6E,8R,9R)- [ACD/Index Name]
Acide (2S,3R,4E,6E,8R,9R)-3-amino-9-méthoxy-2,6,8-triméthyl-10-phényl-4,6-décadiénoïque [French] [ACD/IUPAC Name]
(2S,3R,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.81
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 73 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

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