ChemSpider 2D Image | 3-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)pentanedioic acid | C29H40N2O7S

3-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)pentanedioic acid

  • Molecular FormulaC29H40N2O7S
  • Average mass560.702 Da
  • Monoisotopic mass560.255615 Da
  • ChemSpider ID8613223

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)pentandisäure [German] [ACD/IUPAC Name]
3-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)pentanedioic acid [ACD/IUPAC Name]
Acide 3-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yl}carbamoyl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-[[[(1S,2S,4R)-1-[[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 11.37
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 410.0±5.0 cm3

Click to predict properties on the Chemicalize site


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