Found 2 results

Search term: NBGKLHLLTUTVHG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)-1-{(1R,2R)-1,7,7-trimethyl-2-[(trimethylsilyl)oxy]bicyclo[2.2.1]hept-2-yl}-1-heptanone | C23H45NO3Si

(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)-1-{(1R,2R)-1,7,7-trimethyl-2-[(trimethylsilyl)oxy]bicyclo[2.2.1]hept-2-yl}-1-heptanone

  • Molecular FormulaC23H45NO3Si
  • Average mass411.694 Da
  • Monoisotopic mass411.316864 Da
  • ChemSpider ID30650990

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)-1-{(1R,2R)-1,7,7-trimethyl-2-[(trimethylsilyl)oxy]bicyclo[2.2.1]hept-2-yl}-1-heptanon [German] [ACD/IUPAC Name]
(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)-1-{(1R,2R)-1,7,7-trimethyl-2-[(trimethylsilyl)oxy]bicyclo[2.2.1]hept-2-yl}-1-heptanone [ACD/IUPAC Name]
(3R,4S,5S)-3-Méthoxy-5-méthyl-4-(méthylamino)-1-{(1R,2R)-1,7,7-triméthyl-2-[(triméthylsilyl)oxy]bicyclo[2.2.1]hept-2-yl}-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 3-methoxy-5-methyl-4-(methylamino)-1-[(1R,2R)-1,7,7-trimethyl-2-[(trimethylsilyl)oxy]bicyclo[2.2.1]hept-2-yl]-, (3R,4S,5S)- [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: 442.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±27.3 °C
Index of Refraction: 1.479
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 7.38
ACD/KOC (pH 5.5): 19.95
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 84.91
ACD/KOC (pH 7.4): 229.47
Polar Surface Area: 48 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 31.8±5.0 dyne/cm
Molar Volume: 424.3±5.0 cm3

Click to predict properties on the Chemicalize site


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