ChemSpider 2D Image | (2R,3S)-5-[3-(Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol | C17H27NO4

(2R,3S)-5-[3-(Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol

  • Molecular FormulaC17H27NO4
  • Average mass309.401 Da
  • Monoisotopic mass309.194000 Da
  • ChemSpider ID34243116

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3S)-5-[3-(Butylamino)-2-hydroxypropoxy]-1,2,3,4-tétrahydro-2,3-naphtalènediol [French] [ACD/IUPAC Name]
(2R,3S)-5-[3-(Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol [ACD/IUPAC Name]
(2R,3S)-5-[3-(Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalindiol [German] [ACD/IUPAC Name]
2,3-Naphthalenediol, 5-[3-(butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-, (2R,3S)- [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: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.6±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 82 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

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