ChemSpider 2D Image | (4S,5R,8R,9S,10S)-4-[4-(Benzyloxy)phenyl]-8,9,10-trihydroxy-1,6-dioxaspiro[4.5]decan-2-one | C21H22O7

(4S,5R,8R,9S,10S)-4-[4-(Benzyloxy)phenyl]-8,9,10-trihydroxy-1,6-dioxaspiro[4.5]decan-2-one

  • Molecular FormulaC21H22O7
  • Average mass386.395 Da
  • Monoisotopic mass386.136566 Da
  • ChemSpider ID24776187

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5R,8R,9S,10S)-4-[4-(Benzyloxy)phenyl]-8,9,10-trihydroxy-1,6-dioxaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
(4S,5R,8R,9S,10S)-4-[4-(Benzyloxy)phenyl]-8,9,10-trihydroxy-1,6-dioxaspiro[4.5]decan-2-one [ACD/IUPAC Name]
(4S,5R,8R,9S,10S)-4-[4-(Benzyloxy)phényl]-8,9,10-trihydroxy-1,6-dioxaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 229.7±25.0 °C
Index of Refraction: 1.655
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.50
ACD/KOC (pH 5.5): 187.32
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.50
ACD/KOC (pH 7.4): 187.32
Polar Surface Area: 105 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 269.4±5.0 cm3

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