ChemSpider 2D Image | (4S)-4-[2-Hydroxy-5-({(3S,4S,5R)-4-hydroxy-5-[(3-isopropylbenzyl)amino]-1,1-dioxidotetrahydro-2H-thiopyran-3-yl}methyl)benzyl]-3-propyl-1,3-oxazolidin-2-one | C29H40N2O6S

(4S)-4-[2-Hydroxy-5-({(3S,4S,5R)-4-hydroxy-5-[(3-isopropylbenzyl)amino]-1,1-dioxidotetrahydro-2H-thiopyran-3-yl}methyl)benzyl]-3-propyl-1,3-oxazolidin-2-one

  • Molecular FormulaC29H40N2O6S
  • Average mass544.703 Da
  • Monoisotopic mass544.260681 Da
  • ChemSpider ID26328720

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4s)-4-(2-Hydroxy-5-{[(3s,4s,5r)-4-Hydroxy-1,1-Dioxido-5-{[3-(Propan-2-Yl)benzyl]amino}tetrahydro-2h-Thiopyran-3-Yl]methyl}benzyl)-3-Propyl-1,3-Oxazolidin-2-One
(4S)-4-[2-Hydroxy-5-({(3S,4S,5R)-4-hydroxy-5-[(3-isopropylbenzyl)amino]-1,1-dioxidotetrahydro-2H-thiopyran-3-yl}methyl)benzyl]-3-propyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-[2-Hydroxy-5-({(3S,4S,5R)-4-hydroxy-5-[(3-isopropylbenzyl)amino]-1,1-dioxidotetrahydro-2H-thiopyran-3-yl}methyl)benzyl]-3-propyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-[2-Hydroxy-5-({(3S,4S,5R)-4-hydroxy-5-[(3-isopropylbenzyl)amino]-1,1-dioxydotétrahydro-2H-thiopyrane-3-yl}méthyl)benzyl]-3-propyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-[[2-hydroxy-5-[[(3S,4S,5R)-tetrahydro-4-hydroxy-5-[[[3-(1-methylethyl)phenyl]methyl]amino]-1,1-dioxido-2H-thiopyran-3-yl]methyl]phenyl]methyl]-3-propyl-, (4S)- [ACD/Index Name]
QBH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 17.81
ACD/KOC (pH 5.5): 140.93
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 163.74
ACD/KOC (pH 7.4): 1295.65
Polar Surface Area: 125 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

Click to predict properties on the Chemicalize site


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