ChemSpider 2D Image | (1'R,2S,3'R,6'S,8'R,13'Z,16'R,18'S,19'S,20'Z,22'Z,26'R,27'S)-5',14',18',27'-Tetramethyl-12',24'-dioxospiro[oxirane-2,28'-[2,11,17,25,30]pentaoxapentacyclo[24.2.1.1~16,19~.0~3,8~.0~8,27~]triaconta[4,13 ,20,22]tetraen]-6'-yl acetate | C32H40O10

(1'R,2S,3'R,6'S,8'R,13'Z,16'R,18'S,19'S,20'Z,22'Z,26'R,27'S)-5',14',18',27'-Tetramethyl-12',24'-dioxospiro[oxirane-2,28'-[2,11,17,25,30]pentaoxapentacyclo[24.2.1.116,19.03,8.08,27]triaconta[4,13 ,20,22]tetraen]-6'-yl acetate

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID10140353

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1'R,2S,3'R,6'S,8'R,13'Z,16'R,18'S,19'S,20'Z,22'Z,26'R,27'S)-5',14',18',27'-Tetramethyl-12',24'-dioxospiro[oxirane-2,28'-[2,11,17,25,30]pentaoxapentacyclo[24.2.1.116,19.03,8.08,27]triaconta[4,13 ; ,20,22]tetraen]-6'-yl acetate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.31
ACD/KOC (pH 5.5): 591.28
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.31
ACD/KOC (pH 7.4): 591.28
Polar Surface Area: 119 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

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