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Search term: 71048747 (Found by CSID)
ChemSpider 2D Image | (−)-2′R-1-hydroxyisorhodoptilometrin | C17H14O7

(−)-2′R-1-hydroxyisorhodoptilometrin

  • Molecular FormulaC17H14O7
  • Average mass330.289 Da
  • Monoisotopic mass330.073944 Da
  • ChemSpider ID71048747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(−)-2′R-1-hydroxyisorhodoptilometrin
1,2,4,5-Tetrahydroxy-7-[(2R)-2-hydroxypropyl]-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,2,4,5-Tetrahydroxy-7-[(2R)-2-hydroxypropyl]-9,10-anthraquinone [ACD/IUPAC Name]
1,2,4,5-Tétrahydroxy-7-[(2R)-2-hydroxypropyl]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,2,4,5-tetrahydroxy-7-[(2R)-2-hydroxypropyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 363.2±28.0 °C
Index of Refraction: 1.755
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 461.95
ACD/KOC (pH 5.5): 2604.31
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 5.25
ACD/KOC (pH 7.4): 29.61
Polar Surface Area: 135 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 97.9±3.0 dyne/cm
Molar Volume: 200.0±3.0 cm3

Click to predict properties on the Chemicalize site


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