ChemSpider 2D Image | (1'R,2S,3'R,6'S,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11',17',22'-trioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraen]-6'-yl acetat e | C29H34O10

(1'R,2S,3'R,6'S,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11',17',22'-trioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraen]-6'-yl acetat e

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID8205820

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'R,2S,3'R,6'S,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11',17',22'-trioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraen]-6'-yl acetat e [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: 765.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 321.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.98
ACD/KOC (pH 5.5): 264.20
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.98
ACD/KOC (pH 7.4): 264.20
Polar Surface Area: 127 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

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