ChemSpider 2D Image | (12'E,18'Z,20'Z)-13'-(Hydroxymethyl)-5',25'-dimethyl-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]-11',17',22'-trione | C27H32O9

(12'E,18'Z,20'Z)-13'-(Hydroxymethyl)-5',25'-dimethyl-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]-11',17',22'-trione

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID4585430
  • Double-bond stereo - Double-bond stereo


More details:






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

(12'E,18'Z,20'Z)-13'-(Hydroxymethyl)-5',25'-dimethyl-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]-11',17',22'-trione [ACD/IUPAC Name]
90297-50-0 [RN]
PD 113,325
VERRUCARIN A DERIV CL S14-G
Verrucarin A, 2',3'-didehydro-2'-deoxy-13'-hydroxy-
Verrucarin A, 2',3'-didehydro-2'-deoxy-13'-hydroxy-, (2'E)-

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

NSC344008 [DBID]
PD 113325 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 265.4±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 175.93
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 175.93
Polar Surface Area: 121 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

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