ChemSpider 2D Image | 2-({3-Methoxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]phenyl}sulfonyl)ethanol | C25H34O9S

2-({3-Methoxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]phenyl}sulfonyl)ethanol

  • Molecular FormulaC25H34O9S
  • Average mass510.597 Da
  • Monoisotopic mass510.192352 Da
  • ChemSpider ID155559
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

143445-03-8 [RN]
143490-81-7 [RN]
2-({3-Methoxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]phenyl}sulfonyl)ethanol [ACD/IUPAC Name]
2-({3-Methoxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]phenyl}sulfonyl)ethanol [German] [ACD/IUPAC Name]
2-({3-Méthoxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-triméthoxyphényl)tétrahydro-2-furanyl]phényl}sulfonyl)éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[3-methoxy-2-propoxy-5-[(2R,5R)-tetrahydro-5-(3,4,5-trimethoxyphenyl)-2-furanyl]phenyl]sulfonyl]- [ACD/Index Name]
ETHANOL,2-[[3-METHOXY-2-PROPOXY-5-[(2R,5R)-TETRAHYDRO-5-(3,4,5-TRIMETHOXYPHENYL)-2-FURANYL]PHENYL]SULFONYL]-,REL-

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

INE8OMG1N5 [DBID]
POS65PYU0X [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.76
ACD/KOC (pH 5.5): 375.68
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.76
ACD/KOC (pH 7.4): 375.68
Polar Surface Area: 118 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 416.9±3.0 cm3

Click to predict properties on the Chemicalize site






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