ChemSpider 2D Image | 5-({4-[(2E)-3-{[6-(Dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-2-propen-1-yl]-5-({3-[(2E)-3-{[6-(dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hyd roxy-2-propen-1-yl]-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-2H-pyrrol-5-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-1H-pyrrol-2-yl}methyl)-4-methyl-3-vinyl-2H-pyrrol-2-one (non-preferred name) | C45H52N4O18

5-({4-[(2E)-3-{[6-(Dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-2-propen-1-yl]-5-({3-[(2E)-3-{[6-(dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hyd roxy-2-propen-1-yl]-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-2H-pyrrol-5-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-1H-pyrrol-2-yl}methyl)-4-methyl-3-vinyl-2H-pyrrol-2-one (non-preferred name)

  • Molecular FormulaC45H52N4O18
  • Average mass936.910 Da
  • Monoisotopic mass936.327637 Da
  • ChemSpider ID95637238

More details:

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

5-({4-[(2E)-3-{[6-(Dihydroxymethylen)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-2-propen-1-yl]-5-({3-[(2E)-3-{[6-(dihydroxymethylen)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hydro xy-2-propen-1-yl]-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-2H-pyrrol-5-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-1H-pyrrol-2-yl}methyl)-4-methyl-3-vinyl-2H-pyrrol-2-on (non-preferred name) [German] [ACD/IUPAC Name]
5-({4-[(2E)-3-{[6-(Dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-2-propen-1-yl]-5-({3-[(2E)-3-{[6-(dihydroxymethylene)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-hyd roxy-2-propen-1-yl]-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-2H-pyrrol-5-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-1H-pyrrol-2-yl}methyl)-4-methyl-3-vinyl-2H-pyrrol-2-one (non-preferred name) [ACD/IUPAC Name]
5-({4-[(2E)-3-{[6-(Dihydroxyméthylène)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-2-propén-1-yl]-5-({3-[(2E)-3-{[6-(dihydroxyméthylène)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}-3-hyd roxy-2-propén-1-yl]-4-méthyl-5-[(3-méthyl-2-oxo-4-vinyl-2H-pyrrol-5-yl)méthyl]-1H-pyrrol-2-yl}méthyl)-3-méthyl-1H-pyrrol-2-yl}méthyl)-4-méthyl-3-vinyl-2H-pyrrol-2-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1192.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.1±3.0 kJ/mol
Flash Point: 675.0±37.1 °C
Index of Refraction: 1.690
Molar Refractivity: 223.2±0.5 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 35.13
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 34.93
Polar Surface Area: 370 Å2
Polarizability: 88.5±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 584.3±7.0 cm3

Click to predict properties on the Chemicalize site


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