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Search term: GHCBYDBRCQYPPL-XKSSXDPKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic acid | C10H21NO3

(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic acid

  • Molecular FormulaC10H21NO3
  • Average mass203.279 Da
  • Monoisotopic mass203.152145 Da
  • ChemSpider ID58791918

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic acid [ACD/IUPAC Name]
(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptansäure [German] [ACD/IUPAC Name]
Acide (3R,4S,5S)-3-méthoxy-5-méthyl-4-(méthylamino)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 3-methoxy-5-methyl-4-(methylamino)-, (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: 307.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 139.4±25.1 °C
Index of Refraction: 1.452
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

Click to predict properties on the Chemicalize site


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