ChemSpider 2D Image | 1,5-Dideoxy-4-C-methyl-3-C-({[(1S,7aR)-1-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-L-arabinitol | C20H31NO7

1,5-Dideoxy-4-C-methyl-3-C-({[(1S,7aR)-1-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-L-arabinitol

  • Molecular FormulaC20H31NO7
  • Average mass397.463 Da
  • Monoisotopic mass397.210052 Da
  • ChemSpider ID30772435

  • 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

1,5-Dideoxy-4-C-methyl-3-C-({[(1S,7aR)-1-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-L-arabinitol [ACD/IUPAC Name]
1,5-Didesoxy-4-C-methyl-3-C-({[(1S,7aR)-1-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-L-arabinitol [German] [ACD/IUPAC Name]
1,5-Didésoxy-4-C-méthyl-3-C-({[(1S,7aR)-1-{[(2Z)-2-méthyl-2-butenoyl]oxy}-2,3,5,7a-tétrahydro-1H-pyrrolizin-7-yl]méthoxy}carbonyl)-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 1,5-dideoxy-4-C-methyl-3-C-[[[(1S,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methoxy]carbonyl]- [ACD/Index Name]
Heliosupine

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 54.55
Polar Surface Area: 117 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 313.4±5.0 cm3

Click to predict properties on the Chemicalize site


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