ChemSpider 2D Image | {(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-Pentadecaheptaen-1-yl]-1,2-dioxolan-3-yl}acetic acid | C20H24O4

{(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-Pentadecaheptaen-1-yl]-1,2-dioxolan-3-yl}acetic acid

  • Molecular FormulaC20H24O4
  • Average mass328.402 Da
  • Monoisotopic mass328.167450 Da
  • ChemSpider ID28286065

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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{(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-Pentadecaheptaen-1-yl]-1,2-dioxolan-3-yl}acetic acid [ACD/IUPAC Name]
{(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-Pentadecaheptaen-1-yl]-1,2-dioxolan-3-yl}essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxolane-3-acetic acid, 5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-pentadecaheptaen-1-yl]-, (3S,5S)- [ACD/Index Name]
Acide {(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-2,4,6,8,10,12,14-pentadécaheptaén-1-yl]-1,2-dioxolan-3-yl}acétique [French] [ACD/IUPAC Name]
mycangimycin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 176.0±15.0 °C
Index of Refraction: 1.538
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 47.27
ACD/KOC (pH 5.5): 258.17
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 56 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

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