ChemSpider 2D Image | (1aS,2Z,4E,14S,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydrocyclopropa[e][2]benzoxacyclotetradecine-6,12(1H,7H)-dione | C19H19ClO5

(1aS,2Z,4E,14S,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydrocyclopropa[e][2]benzoxacyclotetradecine-6,12(1H,7H)-dione

  • Molecular FormulaC19H19ClO5
  • Average mass362.804 Da
  • Monoisotopic mass362.092102 Da
  • ChemSpider ID21169329

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aS,2Z,4E,14S,15aR)-8-Chlor-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydrocyclopropa[e][2]benzoxacyclotetradecin-6,12(1H,7H)-dion [German] [ACD/IUPAC Name]
(1aS,2Z,4E,14S,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydrocyclopropa[e][2]benzoxacyclotetradecine-6,12(1H,7H)-dione [ACD/IUPAC Name]
(1aS,2Z,4E,14S,15aR)-8-Chloro-9,11-dihydroxy-14-méthyl-1a,14,15,15a-tétrahydrocyclopropa[e][2]benzoxacyclotétradécine-6,12(1H,7H)-dione [French] [ACD/IUPAC Name]
Cyclopropa[e][2]benzoxacyclotetradecin-6,12(1H,7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aS,2Z,4E,14S,15aR)- [ACD/Index Name]
(1aS,2Z,4E,14S,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-1,1a,15,15a-tetrahydrobenzo[c]cyclopropa[k][1]oxacyclotetradecine-6,12(7H,14H)-dione

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

NChemBio.2007.10-comp7 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 541.46
ACD/KOC (pH 5.5): 3004.65
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 34.63
ACD/KOC (pH 7.4): 192.18
Polar Surface Area: 84 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 276.4±3.0 cm3

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