Found 3 results

Search term: IDIVCUJKNPAADU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1aR,8S,10E,12S,15aR)-5,12,13-Trihydroxy-3-methoxy-8-methyl-1a,8,9,12,13,14,15,15a-octahydro-6H-oxireno[k][2]benzoxacyclotetradecin-6-one | C19H24O7

(1aR,8S,10E,12S,15aR)-5,12,13-Trihydroxy-3-methoxy-8-methyl-1a,8,9,12,13,14,15,15a-octahydro-6H-oxireno[k][2]benzoxacyclotetradecin-6-one

  • Molecular FormulaC19H24O7
  • Average mass364.390 Da
  • Monoisotopic mass364.152191 Da
  • ChemSpider ID78437636

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1aR,8S,10E,12S,15aR)-5,12,13-Trihydroxy-3-methoxy-8-methyl-1a,8,9,12,13,14,15,15a-octahydro-6H-oxireno[k][2]benzoxacyclotetradecin-6-on [German] [ACD/IUPAC Name]
(1aR,8S,10E,12S,15aR)-5,12,13-Trihydroxy-3-methoxy-8-methyl-1a,8,9,12,13,14,15,15a-octahydro-6H-oxireno[k][2]benzoxacyclotetradecin-6-one [ACD/IUPAC Name]
(1aR,8S,10E,12S,15aR)-5,12,13-Trihydroxy-3-méthoxy-8-méthyl-1a,8,9,12,13,14,15,15a-octahydro-6H-oxiréno[k][2]benzoxacyclotétradécin-6-one [French] [ACD/IUPAC Name]
6H-Oxireno[k][2]benzoxacyclotetradecin-6-one, 1a,8,9,12,13,14,15,15a-octahydro-5,12,13-trihydroxy-3-methoxy-8-methyl-, (1aR,8S,10E,12S,15aR)- [ACD/Index Name]
aigialomycin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 218.4±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 178.24
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 84.06
Polar Surface Area: 109 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


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