ChemSpider 2D Image | (2R,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-(1,2,4-~13~C_3_)butanediol | C1713C3H26O6

(2R,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-(1,2,4-13C3)butanediol

  • Molecular FormulaC1713C3H26O6
  • Average mass365.395 Da
  • Monoisotopic mass365.183014 Da
  • ChemSpider ID48061423

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-(1,2,4-13C3)butandiol [German] [ACD/IUPAC Name]
(2R,3S)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-(1,2,4-13C3)butanediol [ACD/IUPAC Name]
(2R,3S)-2,3-Bis(4-hydroxy-3-méthoxybenzyl)-1,4-(1,2,4-13C3)butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol-1,2,4-13C3, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (2R,3S)- [ACD/Index Name]
(2R,3S)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
1346602-47-8 [RN]
rac Secoisolariciresinol-13C3

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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