ChemSpider 2D Image | DIHYDROXYBERGAMOTTIN | C21H24O6

DIHYDROXYBERGAMOTTIN

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID24657824

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

264234-05-1 [RN]
4-{[(2E,6R)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
4-{[(2E,6R)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
4-{[(2E,6R)-6,7-Dihydroxy-3,7-diméthyl-2-octén-1-yl]oxy}-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E,6R)-6,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]- [ACD/Index Name]
DIHYDROXYBERGAMOTTIN
(+)-4-{[(2E,6R)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
(R)-(+)-6',7'-dihydroxybergamottin
17,18-dihydroxybergamottin
4-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
More...

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

S2O194AWTV [DBID]
UNII:S2O194AWTV [DBID]
UNII-S2O194AWTV [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.5±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.67
ACD/KOC (pH 5.5): 755.46
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.67
ACD/KOC (pH 7.4): 755.46
Polar Surface Area: 89 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 295.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement