ChemSpider 2D Image | (3E,4R,5R,6S)-N-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2,4,5-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-nonen-3-imine | C24H45BN2O3

(3E,4R,5R,6S)-N-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2,4,5-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-nonen-3-imine

  • Molecular FormulaC24H45BN2O3
  • Average mass420.437 Da
  • Monoisotopic mass420.352325 Da
  • ChemSpider ID30660345

  • 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

(3E,4R,5R,6S)-N-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2,4,5-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-nonen-3-imin [German] [ACD/IUPAC Name]
(3E,4R,5R,6S)-N-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2,4,5-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-nonen-3-imine [ACD/IUPAC Name]
(3E,4R,5R,6S)-N-[(2S)-2-(Méthoxyméthyl)-1-pyrrolidinyl]-2,4,5-triméthyl-6-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)-8-nonén-3-imine [French] [ACD/IUPAC Name]
1-Pyrrolidinamine, N-[(1E,2R,3R,4S)-2,3-dimethyl-1-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-hepten-1-ylidene]-2-(methoxymethyl)-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 475.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.5±31.5 °C
Index of Refraction: 1.494
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 43 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 29.8±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

Click to predict properties on the Chemicalize site


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