ChemSpider 2D Image | (2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde | C15H23NO5

(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde

  • Molecular FormulaC15H23NO5
  • Average mass297.347 Da
  • Monoisotopic mass297.157623 Da
  • ChemSpider ID25058178
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-2-pyrrolidincarbaldehyd [German] [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexén-1-yl(hydroxy)méthyl]-3-hydroxy-4-(2-hydroxyéthyl)-3-méthyl-5-oxo-2-pyrrolidinecarbaldéhyde [French] [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
2-Pyrrolidinecarboxaldehyde, 2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxo-, (2R,3S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 294.2±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.05
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.05
Polar Surface Area: 107 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 225.6±3.0 cm3

Click to predict properties on the Chemicalize site






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