ChemSpider 2D Image | S-{(1S,2R)-2-[Benzyl(mesitylsulfonyl)amino]-1-phenylpropyl} (2S,3R)-3-hydroxy-2-methoxy-3-phenylpropanethioate | C35H39NO5S2

S-{(1S,2R)-2-[Benzyl(mesitylsulfonyl)amino]-1-phenylpropyl} (2S,3R)-3-hydroxy-2-methoxy-3-phenylpropanethioate

  • Molecular FormulaC35H39NO5S2
  • Average mass617.818 Da
  • Monoisotopic mass617.226990 Da
  • ChemSpider ID30658814

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-méthoxy-3-phénylpropanethioate de S-{(1S,2R)-2-[benzyl(mésitylsulfonyl)amino]-1-phénylpropyle} [French] [ACD/IUPAC Name]
Benzenepropanethioic acid, β-hydroxy-α-methoxy-, S-[(1S,2R)-1-phenyl-2-[(phenylmethyl)[(2,4,6-trimethylphenyl)sulfonyl]amino]propyl] ester, (αS,βR)- [ACD/Index Name]
S-{(1S,2R)-2-[Benzyl(mesitylsulfonyl)amino]-1-phenylpropyl} (2S,3R)-3-hydroxy-2-methoxy-3-phenylpropanethioate [ACD/IUPAC Name]
S-{(1S,2R)-2-[Benzyl(mesitylsulfonyl)amino]-1-phenylpropyl}-(2S,3R)-3-hydroxy-2-methoxy-3-phenylpropanthioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.0±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 933716.06
ACD/KOC (pH 5.5): 653203.81
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 933713.00
ACD/KOC (pH 7.4): 653201.63
Polar Surface Area: 118 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 502.1±3.0 cm3

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