ChemSpider 2D Image | (3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(1S,2E,4S,5Z)-1-hydroxy-2,4-dimethyl-2,5-heptadien-1-yl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferr ed name) | C32H50O10

(3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(1S,2E,4S,5Z)-1-hydroxy-2,4-dimethyl-2,5-heptadien-1-yl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferr ed name)

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID10172717

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(1S,2E,4S,5Z)-1-hydroxy-2,4-dimethyl-2,5-heptadien-1-yl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-en-2,6,12,16-tetron (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(1S,2E,4S,5Z)-1-hydroxy-2,4-dimethyl-2,5-heptadien-1-yl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferr ed name) [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(1S,2E,4S,5Z)-1-hydroxy-2,4-diméthyl-2,5-heptadién-1-yl]-4-méthoxy-5,7,9,11,15-pentaméthyloxacyclooctadéc-9-ène-2,6,12,16-tétrone (non-preferr ed name) [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: 778.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 241.0±26.4 °C
Index of Refraction: 1.533
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.38
ACD/KOC (pH 5.5): 268.65
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.38
ACD/KOC (pH 7.4): 268.64
Polar Surface Area: 168 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 507.2±5.0 cm3

Click to predict properties on the Chemicalize site


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