ChemSpider 2D Image | (2E,4E)-N-{(1E)-3-[(7R,8E,10R,11E)-10,17-Dihydroxy-7,11-dimethyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3H-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl}-4-(methoxyimino)-2-butenamide | C27H32N2O8

(2E,4E)-N-{(1E)-3-[(7R,8E,10R,11E)-10,17-Dihydroxy-7,11-dimethyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3H-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl}-4-(methoxyimino)-2-butenamide

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID8046749

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E,4E)-N-{(1E)-3-[(7R,8E,10R,11E)-10,17-Dihydroxy-7,11-dimethyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3H-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl}-4-(methoxyimino)-2-butenamid [German] [ACD/IUPAC Name]
(2E,4E)-N-{(1E)-3-[(7R,8E,10R,11E)-10,17-Dihydroxy-7,11-dimethyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3H-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl}-4-(methoxyimino)-2-butenamide [ACD/IUPAC Name]
(2E,4E)-N-{(1E)-3-[(7R,8E,10R,11E)-10,17-Dihydroxy-7,11-diméthyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3H-2,6-benzodioxacyclopentadécin-3-yl]-1-propén-1-yl}-4-(méthoxyimino)-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, N-[(1E)-3-[(7R,8E,10R,11E)-1,4,5,7,10,13-hexahydro-10,17-dihydroxy-7,11-dimethyl-1,5-dioxo-3H-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl]-4-(methoxyimino)-, (2E,4E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.05
ACD/KOC (pH 5.5): 946.01
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 74.14
ACD/KOC (pH 7.4): 694.03
Polar Surface Area: 144 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 422.3±7.0 cm3

Click to predict properties on the Chemicalize site


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