ChemSpider 2D Image | (1'R,2S,3'R,8'R,12'Z,18'Z,20'Z,24'S,25'S,27'R)-27'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-1
1',17',22'-trione | C27H32O9

(1'R,2S,3'R,8'R,12'Z,18'Z,20'Z,24'S,25'S,27'R)-27'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraene]-1 1',17',22'-trione

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID9224545
  • 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,8'R,12'Z,18'Z,20'Z,24'S,25'S,27'R)-27'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraene]-1 1',17',22'-trione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.3±6.0 kJ/mol
Flash Point: 265.0±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.17
ACD/KOC (pH 5.5): 156.58
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.17
ACD/KOC (pH 7.4): 156.58
Polar Surface Area: 121 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 371.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement