ChemSpider 2D Image | (1R,2R,3R,4S)-2,9,10-Trihydroxy-5-(methoxymethoxy)-2-methyl-11-oxo-2,3,4,11-tetrahydro-1H-benzo[b]fluorene-1,3,4-triyl triacetate | C26H26O12

(1R,2R,3R,4S)-2,9,10-Trihydroxy-5-(methoxymethoxy)-2-methyl-11-oxo-2,3,4,11-tetrahydro-1H-benzo[b]fluorene-1,3,4-triyl triacetate

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID13081473
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2R,3R,4S)-2,9,10-Trihydroxy-5-(methoxymethoxy)-2-methyl-11-oxo-2,3,4,11-tetrahydro-1H-benzo[b]fluoren-1,3,4-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,2R,3R,4S)-2,9,10-Trihydroxy-5-(methoxymethoxy)-2-methyl-11-oxo-2,3,4,11-tetrahydro-1H-benzo[b]fluorene-1,3,4-triyl triacetate [ACD/IUPAC Name]
11H-Benzo[b]fluoren-11-one, 1,3,4-tris(acetyloxy)-1,2,3,4-tetrahydro-2,9,10-trihydroxy-5-(methoxymethoxy)-2-methyl-, (1R,2R,3R,4S)- [ACD/Index Name]
Triacétate de (1R,2R,3R,4S)-2,9,10-trihydroxy-5-(méthoxyméthoxy)-2-méthyl-11-oxo-2,3,4,11-tétrahydro-1H-benzo[b]fluorène-1,3,4-triyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 764.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 257.1±26.4 °C
Index of Refraction: 1.649
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 14.22
ACD/KOC (pH 5.5): 122.01
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 175 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 349.8±5.0 cm3

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