Found 20 results

Search term: C25H42O9 (Found by molecular formula)
ChemSpider 2D Image | (1R,3R,4S,7S,9S,11S,15R)-3,4,11,15-Tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-9-methoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadec-13-en-5-one | C25H42O9

(1R,3R,4S,7S,9S,11S,15R)-3,4,11,15-Tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-9-methoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadec-13-en-5-one

  • Molecular FormulaC25H42O9
  • Average mass486.596 Da
  • Monoisotopic mass486.282898 Da
  • ChemSpider ID27025511

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3R,4S,7S,9S,11S,15R)-3,4,11,15-Tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-9-methoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadec-13-en-5-on [German] [ACD/IUPAC Name]
(1R,3R,4S,7S,9S,11S,15R)-3,4,11,15-Tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)-2-hexen-2-yl]-9-methoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadec-13-en-5-one [ACD/IUPAC Name]
(1R,3R,4S,7S,9S,11S,15R)-3,4,11,15-Tétrahydroxy-7-[(2Z,4R)-4-(hydroxyméthyl)-2-hexén-2-yl]-9-méthoxy-12,12-diméthyl-6,17-dioxabicyclo[11.3.1]heptadéc-13-én-5-one [French] [ACD/IUPAC Name]
peloruside C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 220.6±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.33
ACD/KOC (pH 5.5): 82.25
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 82.25
Polar Surface Area: 146 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site


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