ChemSpider 2D Image | Eg5-I | C23H25NO2S

Eg5-I

  • Molecular FormulaC23H25NO2S
  • Average mass379.515 Da
  • Monoisotopic mass379.160614 Da
  • ChemSpider ID26610538

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-3-{[(4-methoxyphenyl)(diphenyl)methyl]sulfanyl}-1-propanol [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-{[(4-methoxyphenyl)(diphenyl)methyl]sulfanyl}-1-propanol [ACD/IUPAC Name]
(2R)-2-Amino-3-{[(4-méthoxyphényl)(diphényl)méthyl]sulfanyl}-1-propanol [French] [ACD/IUPAC Name]
1338701-15-7 [RN]
1-Propanol, 2-amino-3-[[(4-methoxyphenyl)diphenylmethyl]thio]-, (2R)- [ACD/Index Name]
Eg5-I
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
(2R)-2-amino-3-[[(4-methoxyphenyl)diphenylmethyl]thio]-1-propanol
(2R)-2-AMINO-3-{[(4-METHOXYPHENYL)DIPHENYLMETHYL]SULFANYL}PROPAN-1-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 16.52
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 181.96
ACD/KOC (pH 7.4): 807.45
Polar Surface Area: 81 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 321.8±3.0 cm3

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