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Search term: CC(C)C[C@H](N)[C@@H](O)[C@@H]1CC(=O)C[C@H]1C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (1R,2R)-2-[(1S,2S)-2-Amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid | C12H21NO4

(1R,2R)-2-[(1S,2S)-2-Amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid

  • Molecular FormulaC12H21NO4
  • Average mass243.299 Da
  • Monoisotopic mass243.147064 Da
  • ChemSpider ID59053383

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-2-[(1S,2S)-2-Amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[(1S,2S)-2-Amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-méthylpentyl]-4-oxocyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxo-, (1R,2R)- [ACD/Index 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: 466.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 236.0±25.9 °C
Index of Refraction: 1.529
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 201.0±3.0 cm3

Click to predict properties on the Chemicalize site


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