ChemSpider 2D Image | (18'E,20'E)-12'-Hydroxy-5'-(hydroxymethyl)-13',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[4,18,20]triene]-11',17',22'-trione | C27H34O10

(18'E,20'E)-12'-Hydroxy-5'-(hydroxymethyl)-13',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[4,18,20]triene]-11',17',22'-trione

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID21257931

  • Double-bond stereo - Double-bond stereo

More details:

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

(18'E,20'E)-12'-Hydroxy-5'-(hydroxymethyl)-13',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[4,18,20]triene]-11',17',22'-trione [ACD/IUPAC Name]
74516-64-6 [RN]
VERRUCARIN A, PRIMARY ALLYLIC ALCOHOL OF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 798.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 267.4±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 60.05
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 60.05
Polar Surface Area: 141 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 376.1±5.0 cm3

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