ChemSpider 2D Image | hypothemycin | C19H22O8

hypothemycin

  • Molecular FormulaC19H22O8
  • Average mass378.373 Da
  • Monoisotopic mass378.131470 Da
  • ChemSpider ID76714587

  • 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

(1aR,8S,10Z,13S,14S,15aS)-5,13,14-Trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecin-6,12(1aH)-dion [German] [ACD/IUPAC Name]
(1aR,8S,10Z,13S,14S,15aS)-5,13,14-Trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione [ACD/IUPAC Name]
(1aR,8S,10Z,13S,14S,15aS)-5,13,14-Trihydroxy-3-méthoxy-8-méthyl-8,9,13,14,15,15a-hexahydro-6H-oxiréno[k][2]benzoxacyclotétradécine-6,12(1aH)-dione [French] [ACD/IUPAC Name]
6H-Oxireno[k][2]benzoxacyclotetradecin-6,12(1aH)-dione, 8,9,13,14,15,15a-hexahydro-5,13,14-trihydroxy-3-methoxy-8-methyl-, (1aR,8S,10Z,13S,14S,15aS)- [ACD/Index Name]
76958-67-3 [RN]
hypothemycin
(2R,4S,6S,7S,9Z,12S)-6,7,16-Trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 240.7±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: 0.69
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 58.90
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.87
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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