ChemSpider 2D Image | (1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[2-({(E)-[4-(2,3-diphenyl-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-butanylidene]amino}oxy)ethyl]-D-erythro-hex-2-enitol | C36H41N3O6

(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[2-({(E)-[4-(2,3-diphenyl-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-butanylidene]amino}oxy)ethyl]-D-erythro-hex-2-enitol

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID7834125

  • 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

(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-dideoxy-1-[2-({(E)-[4-(2,3-diphenyl-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-butanylidene]amino}oxy)ethyl]-D-erythro-hex-2-enitol [ACD/IUPAC Name]
(1R)-4,6-Di-O-acetyl-1,5-anhydro-2,3-didesoxy-1-[2-({(E)-[4-(2,3-diphenyl-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-butanyliden]amino}oxy)ethyl]-D-erythro-hex-2-enitol [German] [ACD/IUPAC Name]
(1R)-4,6-Di-O-acétyl-1,5-anhydro-2,3-didésoxy-1-[2-({(E)-[4-(2,3-diphényl-7,8-dihydro-1,6-naphtyridin-6(5H)-yl)-2-butanylidène]amino}oxy)éthyl]-D-érythro-hex-2-énitol [French] [ACD/IUPAC Name]
D-arabino-Oct-4-enitol, 3,7-anhydro-2,4,5-trideoxy-1-O-[[(1E)-3-(7,8-dihydro-2,3-diphenyl-1,6-naphthyridin-6(5H)-yl)-1-methylpropylidene]amino]-, 6,8-diacetate [ACD/Index Name]
CMLDBU00002263

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 172.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 2899.65
ACD/KOC (pH 5.5): 6588.64
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14065.47
ACD/KOC (pH 7.4): 31959.86
Polar Surface Area: 100 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 506.5±7.0 cm3

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