ChemSpider 2D Image | (+)-arctigenin | C21H24O6

(+)-arctigenin

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID24684068

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-arctigenin
(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S)-4-(3,4-Diméthoxybenzyl)-3-(4-hydroxy-3-méthoxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- [ACD/Index Name]
84413-77-4 [RN]
(-)-Arctigenin
(3R,4R)-4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
More...

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

695QU32V04 [DBID]
A1854_SIGMA [DBID]
AIDS002466 [DBID]
AIDS-002466 [DBID]
C10545 [DBID]
NCGC00025291-01 [DBID]
Tocris-1777 [DBID]
UNII:695QU32V04 [DBID]
UNII-695QU32V04 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 198.8±22.2 °C
Index of Refraction: 1.576
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.64
ACD/KOC (pH 5.5): 552.95
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.53
ACD/KOC (pH 7.4): 551.68
Polar Surface Area: 74 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement