Found 3 results

Search term: DVNVQQSZABWHRN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1aR,4E,11E,14aR)-10a-Hydroperoxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one | C20H28O5

(1aR,4E,11E,14aR)-10a-Hydroperoxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID28283294

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1aR,4E,11E,14aR)-10a-Hydroperoxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-on [German] [ACD/IUPAC Name]
(1aR,4E,11E,14aR)-10a-Hydroperoxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one [ACD/IUPAC Name]
(1aR,4E,11E,14aR)-10a-Hydroperoxy-1a,5,8,12-tétraméthyl-2,3,6,7,10a,13,14,14a-octahydrooxiréno[9,10]cyclotétradéca[1,2-b]furan-9(1aH)-one [French] [ACD/IUPAC Name]
Oxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,10a,13,14,14a-octahydro-10a-hydroperoxy-1a,5,8,12-tetramethyl-, (1aR,4E,11E,14aR)- [ACD/Index Name]
2-hydroperoxysarcophine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 187.3±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 466.06
ACD/KOC (pH 5.5): 2829.02
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.95
ACD/KOC (pH 7.4): 2761.55
Polar Surface Area: 68 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 294.6±5.0 cm3

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