ChemSpider 2D Image | myriaporone 3 | C19H32O7

myriaporone 3

  • Molecular FormulaC19H32O7
  • Average mass372.453 Da
  • Monoisotopic mass372.214813 Da
  • ChemSpider ID28639002

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,3S)-1-[(3R,4S)-6-Ethyl-4,6-dihydroxytetrahydro-2H-pyran-3-yl]-3-hydroxy-2-(hydroxymethyl)-3-{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}-1-propanon [German] [ACD/IUPAC Name]
(2R,3S)-1-[(3R,4S)-6-Ethyl-4,6-dihydroxytetrahydro-2H-pyran-3-yl]-3-hydroxy-2-(hydroxymethyl)-3-{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}-1-propanone [ACD/IUPAC Name]
(2R,3S)-1-[(3R,4S)-6-Éthyl-4,6-dihydroxytétrahydro-2H-pyran-3-yl]-3-hydroxy-2-(hydroxyméthyl)-3-{(2R,3R)-2-méthyl-3-[(2S,3Z)-3-pentén-2-yl]-2-oxiranyl}-1-propanone [French] [ACD/IUPAC Name]
myriaporone 3
  • Miscellaneous

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 199.3±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.39
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 58.39
Polar Surface Area: 120 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

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