ChemSpider 2D Image | SMYRINDIOL | C14H14O5

SMYRINDIOL

  • Molecular FormulaC14H14O5
  • Average mass262.258 Da
  • Monoisotopic mass262.084137 Da
  • ChemSpider ID52085837

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-, (2S,3R)- [ACD/Index Name]
87725-60-8 [RN]
SMYRINDIOL

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

75X957W22U [DBID]
UNII:75X957W22U [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 181.7±22.2 °C
Index of Refraction: 1.643
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 100.23
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.38
ACD/KOC (pH 7.4): 100.23
Polar Surface Area: 76 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 181.5±3.0 cm3

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