ChemSpider 2D Image | (1aS,3Z,6S,13S,14R,15aS)-9,13,14-Trihydroxy-11-methoxy-6-methyl-5,6,13,14,15,15a-hexahydro-2H-oxireno[h][2]benzoxacyclotetradecine-2,8(1aH)-dione | C19H22O8

(1aS,3Z,6S,13S,14R,15aS)-9,13,14-Trihydroxy-11-methoxy-6-methyl-5,6,13,14,15,15a-hexahydro-2H-oxireno[h][2]benzoxacyclotetradecine-2,8(1aH)-dione

  • Molecular FormulaC19H22O8
  • Average mass378.373 Da
  • Monoisotopic mass378.131470 Da
  • ChemSpider ID57643221

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aS,3Z,6S,13S,14R,15aS)-9,13,14-Trihydroxy-11-methoxy-6-methyl-5,6,13,14,15,15a-hexahydro-2H-oxireno[h][2]benzoxacyclotetradecin-2,8(1aH)-dion [German] [ACD/IUPAC Name]
(1aS,3Z,6S,13S,14R,15aS)-9,13,14-Trihydroxy-11-methoxy-6-methyl-5,6,13,14,15,15a-hexahydro-2H-oxireno[h][2]benzoxacyclotetradecine-2,8(1aH)-dione [ACD/IUPAC Name]
(1aS,3Z,6S,13S,14R,15aS)-9,13,14-Trihydroxy-11-méthoxy-6-méthyl-5,6,13,14,15,15a-hexahydro-2H-oxiréno[h][2]benzoxacyclotétradécine-2,8(1aH)-dione [French] [ACD/IUPAC Name]
2H-Oxireno[h][2]benzoxacyclotetradecin-2,8(1aH)-dione, 5,6,13,14,15,15a-hexahydro-9,13,14-trihydroxy-11-methoxy-6-methyl-, (1aS,3Z,6S,13S,14R,15aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 242.7±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 60.96
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 30.55
Polar Surface Area: 126 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

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