Found 1 result

Search term: NXSJMBWUYLXNQM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,6S,7S,8R)-6-Hydroxy-2,4'-dimethyl-3'H,4H,12H-spiro[5,11-dioxatricyclo[5.3.2.0~1,6~]dodec-2-ene-8,2'-furan]-3',4,12-trione | C15H14O7

(1S,6S,7S,8R)-6-Hydroxy-2,4'-dimethyl-3'H,4H,12H-spiro[5,11-dioxatricyclo[5.3.2.01,6]dodec-2-ene-8,2'-furan]-3',4,12-trione

  • Molecular FormulaC15H14O7
  • Average mass306.267 Da
  • Monoisotopic mass306.073944 Da
  • ChemSpider ID24720976

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,6S,7S,8R)-6-Hydroxy-2,4'-dimethyl-3'H,4H,12H-spiro[5,11-dioxatricyclo[5.3.2.01,6]dodec-2-ene-8,2'-furan]-3',4,12-trione [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 254.9±25.0 °C
Index of Refraction: 1.631
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.77
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.36
Polar Surface Area: 99 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 196.0±5.0 cm3

Click to predict properties on the Chemicalize site


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