ChemSpider 2D Image | (1'R,2S,2'Z,4'Z,8'R,9'S,11'R,13'R,18'R,24'R,26'R,27'R)-26',27'-Dihydroxy-9',15'-dimethyl-6'H,21'H-spiro[oxirane-2,10'-[7,12,20,25,28]pentaoxahexacyclo[21.4.3.1~8,11~.0~1,24~.0~9,18~.0~13,18~]hentriaco nta[2,4,14,22]tetraene]-6',21'-dione | C29H34O10

(1'R,2S,2'Z,4'Z,8'R,9'S,11'R,13'R,18'R,24'R,26'R,27'R)-26',27'-Dihydroxy-9',15'-dimethyl-6'H,21'H-spiro[oxirane-2,10'-[7,12,20,25,28]pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaco nta[2,4,14,22]tetraene]-6',21'-dione

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID8545559

  • 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,2'Z,4'Z,8'R,9'S,11'R,13'R,18'R,24'R,26'R,27'R)-26',27'-Dihydroxy-9',15'-dimethyl-6'H,21'H-spiro[oxirane-2,10'-[7,12,20,25,28]pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaco ;nta[2,4,14,22]tetraene]-6',21'-dione [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 843.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 282.1±27.8 °C
Index of Refraction: 1.641
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 73.71
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.85
ACD/KOC (pH 7.4): 73.71
Polar Surface Area: 133 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 374.0±5.0 cm3

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