ChemSpider 2D Image | Atrop-abyssomicin C | C19H22O6

Atrop-abyssomicin C

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID29213358

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-dien-6,10,12-trion [German] [ACD/IUPAC Name]
(1S,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione [ACD/IUPAC Name]
(1S,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-triméthyl-13,17-dioxatétracyclo[9.5.2.03,14.014,18]octadéca-4,11(18)-diène-6,10,12-trione [French] [ACD/IUPAC Name]
12,14a,3-(Epoxymethanediylylidene)-2H-1-benzoxacyclododecin-2,4,8(5H,12H)-trione, 6,7,10a,11,13,14-hexahydro-11-hydroxy-5,7,13-trimethyl-, (5R,7S,9E,10aR,11R,12S,13R,14aR)- [ACD/Index Name]
abyssomicin C
Atrop-abyssomicin C [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 217.8±23.6 °C
Index of Refraction: 1.588
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.65
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.65
Polar Surface Area: 90 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

Click to predict properties on the Chemicalize site


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