ChemSpider 2D Image | (2R,3S,6R)-6-Allyl-3-(benzyloxy)-2-[(benzyloxy)methyl]-1-[(4-methylphenyl)sulfonyl]piperidine | C30H35NO4S

(2R,3S,6R)-6-Allyl-3-(benzyloxy)-2-[(benzyloxy)methyl]-1-[(4-methylphenyl)sulfonyl]piperidine

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID9905580
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S,6R)-6-Allyl-3-(benzyloxy)-2-[(benzyloxy)methyl]-1-[(4-methylphenyl)sulfonyl]piperidin [German] [ACD/IUPAC Name]
(2R,3S,6R)-6-Allyl-3-(benzyloxy)-2-[(benzyloxy)methyl]-1-[(4-methylphenyl)sulfonyl]piperidine [ACD/IUPAC Name]
(2R,3S,6R)-6-Allyl-3-(benzyloxy)-2-[(benzyloxy)méthyl]-1-[(4-méthylphényl)sulfonyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(4-methylphenyl)sulfonyl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-(2-propen-1-yl)-, (2R,3S,6R)- [ACD/Index Name]
(2R,3S,6R)-3-(benzyloxy)-2-[(benzyloxy)methyl]-1-(4-methylbenzenesulfonyl)-6-(prop-2-en-1-yl)piperidine
219715-83-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 119577.41
ACD/KOC (pH 5.5): 150023.53
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 119577.41
ACD/KOC (pH 7.4): 150023.53
Polar Surface Area: 64 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

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