ChemSpider 2D Image | 6-[3-[2-[[3-[3-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)oxy-3-oxo-propyl]-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid | C45H52N4O18

6-[3-[2-[[3-[3-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)oxy-3-oxo-propyl]-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

  • Molecular FormulaC45H52N4O18
  • Average mass936.910 Da
  • Monoisotopic mass936.327637 Da
  • ChemSpider ID95638442

More details:

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1123.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.3±3.0 kJ/mol
Flash Point: 633.5±37.1 °C
Index of Refraction: 1.690
Molar Refractivity: 223.2±0.5 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 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


Advertisement