ChemSpider 2D Image | (3R,3aS,6S,6aS)-3,3a,6-Trihydroxy-3-[(1-methyl-1H-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) | C16H17NO6

(3R,3aS,6S,6aS)-3,3a,6-Trihydroxy-3-[(1-methyl-1H-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)

  • Molecular FormulaC16H17NO6
  • Average mass319.309 Da
  • Monoisotopic mass319.105591 Da
  • ChemSpider ID62478767

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aS,6S,6aS)-3,3a,6-Trihydroxy-3-[(1-methyl-1H-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3H)-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,3aS,6S,6aS)-3,3a,6-Trihydroxy-3-[(1-methyl-1H-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) [ACD/IUPAC Name]
(3R,3aS,6S,6aS)-3,3a,6-Trihydroxy-3-[(1-méthyl-1H-indol-3-yl)méthyl]tétrahydrofuro[3,2-b]furan-2(3H)-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: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.89
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 78.68
Polar Surface Area: 101 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 198.9±7.0 cm3

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