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Search term: (+)-secoisolariciresinol (Found by approved synonym)
ChemSpider 2D Image | (+)-secoisolariciresinol | C20H26O6

(+)-secoisolariciresinol

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID28288853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(+)-secoisolariciresinol
(2S,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-butandiol [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-butanediol [ACD/IUPAC Name]
(2S,3S)-2,3-Bis(4-hydroxy-3-méthoxybenzyl)-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3S)- [ACD/Index Name]
145265-02-7 [RN]
1UK6IPG91I
secoisolariciresinol [Wiki]
SECOISOLARICIRESINOL, (+)-
(2R,3R)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-butanediol [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 161.18
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 160.59
Polar Surface Area: 99 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

Click to predict properties on the Chemicalize site


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