ChemSpider 2D Image | (1S,2R)-1-{[(4-Methylphenyl)sulfonyl]amino}-2,3-dihydro-1H-inden-2-yl (2S,3S,4E)-2-allyl-3-hydroxy-5-phenyl-4-pentenoate | C30H31NO5S

(1S,2R)-1-{[(4-Methylphenyl)sulfonyl]amino}-2,3-dihydro-1H-inden-2-yl (2S,3S,4E)-2-allyl-3-hydroxy-5-phenyl-4-pentenoate

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID10156896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R)-1-{[(4-Methylphenyl)sulfonyl]amino}-2,3-dihydro-1H-inden-2-yl (2S,3S,4E)-2-allyl-3-hydroxy-5-phenyl-4-pentenoate [ACD/IUPAC Name]
(1S,2R)-1-{[(4-Methylphenyl)sulfonyl]amino}-2,3-dihydro-1H-inden-2-yl-(2S,3S,4E)-2-allyl-3-hydroxy-5-phenyl-4-pentenoat [German] [ACD/IUPAC Name]
(2S,3S,4E)-2-Allyl-3-hydroxy-5-phényl-4-penténoate de (1S,2R)-1-{[(4-méthylphényl)sulfonyl]amino}-2,3-dihydro-1H-indén-2-yle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 3-hydroxy-5-phenyl-2-(2-propen-1-yl)-, (1S,2R)-2,3-dihydro-1-[[(4-methylphenyl)sulfonyl]amino]-1H-inden-2-yl ester, (2S,3S,4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction: 1.640
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8265.05
ACD/KOC (pH 5.5): 22159.17
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8257.28
ACD/KOC (pH 7.4): 22138.32
Polar Surface Area: 101 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 402.6±5.0 cm3

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