ChemSpider 2D Image | (1S,5S)-1,5-Anhydro-5-[(1R,2R)-2-chloro-1-{[(4S)-1-methyl-4-propyl-D-prolyl]amino}propyl]-1-[(R)-methylsulfinyl]-D-arabinitol | C18H33ClN2O6S

(1S,5S)-1,5-Anhydro-5-[(1R,2R)-2-chloro-1-{[(4S)-1-methyl-4-propyl-D-prolyl]amino}propyl]-1-[(R)-methylsulfinyl]-D-arabinitol

  • Molecular FormulaC18H33ClN2O6S
  • Average mass440.982 Da
  • Monoisotopic mass440.174774 Da
  • ChemSpider ID111314215

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,5S)-1,5-Anhydro-5-[(1R,2R)-2-chlor-1-{[(4S)-1-methyl-4-propyl-D-prolyl]amino}propyl]-1-[(R)-methylsulfinyl]-D-arabinitol [German] [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-5-[(1R,2R)-2-chloro-1-{[(4S)-1-methyl-4-propyl-D-prolyl]amino}propyl]-1-[(R)-methylsulfinyl]-D-arabinitol [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-5-[(1R,2R)-2-chloro-1-{[(4S)-1-méthyl-4-propyl-D-prolyl]amino}propyl]-1-[(R)-méthylsulfinyl]-D-arabinitol [French] [ACD/IUPAC Name]
D-threo-L-galacto-Octitol, 1,5-anhydro-7-chloro-6,7,8-trideoxy-6-[[[(2R,4S)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-C-[(R)-(1R)-methylsulfinyl]-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.62
Polar Surface Area: 139 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 323.5±5.0 cm3

Click to predict properties on the Chemicalize site


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