ChemSpider 2D Image | (1'R,2S,3'R,8'R,12'Z,15'R,17'S,18'S,19'Z,21'Z,25'R,26'S)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.1~15,18~.0~3,8~.0~8,26~]nonacosa[4,12,19,21]t
etraene]-11',23'-dione | C29H36O8

(1'R,2S,3'R,8'R,12'Z,15'R,17'S,18'S,19'Z,21'Z,25'R,26'S)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]t etraene]-11',23'-dione

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID24737825
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1'R,2S,3'R,8'R,12'Z,15'R,17'S,18'S,19'Z,21'Z,25'R,26'S)-5',13',17',26'-Tetramethyl-11'H,23'H-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa[4,12,19,21]t etraene]-11',23'-dione [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 303.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.97
ACD/KOC (pH 5.5): 628.46
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.97
ACD/KOC (pH 7.4): 628.46
Polar Surface Area: 93 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement