ChemSpider 2D Image | (2E,4E,6E,8E,10E)-1-[(1S,4R,5S)-2-Hydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-10-(hydroxymethyl)-2,6,8-trimethyl-2,4,6,8,10-dodecapentaen-1-one | C22H29NO5

(2E,4E,6E,8E,10E)-1-[(1S,4R,5S)-2-Hydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-10-(hydroxymethyl)-2,6,8-trimethyl-2,4,6,8,10-dodecapentaen-1-one

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID58837637

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4E,6E,8E,10E)-1-[(1S,4R,5S)-2-Hydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-10-(hydroxymethyl)-2,6,8-trimethyl-2,4,6,8,10-dodecapentaen-1-on [German] [ACD/IUPAC Name]
(2E,4E,6E,8E,10E)-1-[(1S,4R,5S)-2-Hydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-10-(hydroxymethyl)-2,6,8-trimethyl-2,4,6,8,10-dodecapentaen-1-one [ACD/IUPAC Name]
(2E,4E,6E,8E,10E)-1-[(1S,4R,5S)-2-Hydroxy-4-(2-hydroxyéthyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-én-1-yl]-10-(hydroxyméthyl)-2,6,8-triméthyl-2,4,6,8,10-dodécapentaén-1-one [French] [ACD/IUPAC Name]
2,4,6,8,10-Dodecapentaen-1-one, 1-[(1S,4R,5S)-2-hydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-10-(hydroxymethyl)-2,6,8-trimethyl-, (2E,4E,6E,8E,10E)- [ACD/Index Name]
20-hydroxy-13-14 epoxy-prefusarin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 142.02
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.16
ACD/KOC (pH 7.4): 140.96
Polar Surface Area: 103 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 331.8±7.0 cm3

Click to predict properties on the Chemicalize site


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