ChemSpider 2D Image | 7',13'-Dihydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.0~3,9~.0~4,6~.0~9,26~]octacosa[19,21]diene]-12',18',23'-trione | C27H34O11

7',13'-Dihydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID383227

More details:

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

7',13'-Dihydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione [ACD/IUPAC Name]

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

NCIMech_000833 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 806.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 270.6±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.44
Polar Surface Area: 154 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

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