ChemSpider 2D Image | (6S)-4-(Dihydroxyamino)-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one | C6H7NO6

(6S)-4-(Dihydroxyamino)-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one

  • Molecular FormulaC6H7NO6
  • Average mass189.123 Da
  • Monoisotopic mass189.027344 Da
  • ChemSpider ID61713057

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-4-(Dihydroxyamino)-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6S)-4-(Dihydroxyamino)-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6S)-4-(Dihydroxyamino)-6-hydroperoxy-6-hydroxy-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 4-(dihydroxyamino)-6-hydroperoxy-6-hydroxy-, (6S)- [ACD/Index Name]
(1s)-1-Hydroperoxy-1-Hydroxy-2-Keto-5-Nitrocyclohexa-3,5-Diene
XX3

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

Density: 2.0±0.1 g/cm3
Boiling Point: 577.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 39.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.08
Polar Surface Area: 110 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 132.5±5.0 dyne/cm
Molar Volume: 96.8±5.0 cm3

Click to predict properties on the Chemicalize site


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