ChemSpider 2D Image | (7R,9S,12Z,15S,17R)-7,9,13,15,17-Pentahydroxy-1,23-diphenyl-2,4,20,22-tetraoxatricos-12-en-11-one | C31H44O10

(7R,9S,12Z,15S,17R)-7,9,13,15,17-Pentahydroxy-1,23-diphenyl-2,4,20,22-tetraoxatricos-12-en-11-one

  • Molecular FormulaC31H44O10
  • Average mass576.675 Da
  • Monoisotopic mass576.293457 Da
  • ChemSpider ID9494106

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R,9S,12Z,15S,17R)-7,9,13,15,17-Pentahydroxy-1,23-diphenyl-2,4,20,22-tetraoxatricos-12-en-11-on [German] [ACD/IUPAC Name]
(7R,9S,12Z,15S,17R)-7,9,13,15,17-Pentahydroxy-1,23-diphenyl-2,4,20,22-tetraoxatricos-12-en-11-one [ACD/IUPAC Name]
(7R,9S,12Z,15S,17R)-7,9,13,15,17-Pentahydroxy-1,23-diphényl-2,4,20,22-tétraoxatricos-12-én-11-one [French] [ACD/IUPAC Name]
2,4,20,22-Tetraoxatricos-12-en-11-one, 7,9,13,15,17-pentahydroxy-1,23-diphenyl-, (7R,9S,12Z,15S,17R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 246.5±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.49
ACD/KOC (pH 5.5): 492.05
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 37.85
ACD/KOC (pH 7.4): 460.08
Polar Surface Area: 155 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 468.6±3.0 cm3

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