ChemSpider 2D Image | (1R,3S,4R,7S,9S,15R)-4,11,13-Trihydroxy-7-[(2E,4S)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one | C27H48O10

(1R,3S,4R,7S,9S,15R)-4,11,13-Trihydroxy-7-[(2E,4S)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one

  • Molecular FormulaC27H48O10
  • Average mass532.664 Da
  • Monoisotopic mass532.324768 Da
  • ChemSpider ID8500242

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1R,3S,4R,7S,9S,15R)-4,11,13-Trihydroxy-7-[(2E,4S)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-on [German] [ACD/IUPAC Name]
(1R,3S,4R,7S,9S,15R)-4,11,13-Trihydroxy-7-[(2E,4S)-4-(hydroxymethyl)-2-hexen-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one [ACD/IUPAC Name]
(1R,3S,4R,7S,9S,15R)-4,11,13-Trihydroxy-7-[(2E,4S)-4-(hydroxyméthyl)-2-hexén-2-yl]-3,9,15-triméthoxy-12,12-diméthyl-6,17-dioxabicyclo[11.3.1]heptadécan-5-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 214.7±25.0 °C
Index of Refraction: 1.526
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.54
ACD/KOC (pH 5.5): 133.42
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 133.42
Polar Surface Area: 144 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 448.1±5.0 cm3

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