ChemSpider 2D Image | 1-Cyclohexyl-1,2,5-trideoxy-2-({N-[(2S)-3-(ethylsulfonyl)-2-(1-naphthylmethyl)propanoyl]-L-histidyl}amino)-5-(4-morpholinyl)-L-arabinitol | C37H53N5O7S

1-Cyclohexyl-1,2,5-trideoxy-2-({N-[(2S)-3-(ethylsulfonyl)-2-(1-naphthylmethyl)propanoyl]-L-histidyl}amino)-5-(4-morpholinyl)-L-arabinitol

  • Molecular FormulaC37H53N5O7S
  • Average mass711.911 Da
  • Monoisotopic mass711.366577 Da
  • ChemSpider ID8231170

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Cyclohexyl-1,2,5-trideoxy-2-({N-[(2S)-3-(ethylsulfonyl)-2-(1-naphthylmethyl)propanoyl]-L-histidyl}amino)-5-(4-morpholinyl)-L-arabinitol [ACD/IUPAC Name]
1-Cyclohexyl-1,2,5-tridesoxy-2-({N-[(2S)-3-(ethylsulfonyl)-2-(1-naphthylmethyl)propanoyl]-L-histidyl}amino)-5-(4-morpholinyl)-L-arabinitol [German] [ACD/IUPAC Name]
1-Cyclohexyl-1,2,5-tridésoxy-2-({N-[(2S)-3-(éthylsulfonyl)-2-(1-naphtylméthyl)propanoyl]-L-histidyl}amino)-5-(4-morpholinyl)-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 1-cyclohexyl-1,2,5-trideoxy-2-[[(2S)-2-[[(2S)-3-(ethylsulfonyl)-2-(1-naphthalenylmethyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(4-morpholinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1063.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 596.8±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 41.22
ACD/KOC (pH 7.4): 438.99
Polar Surface Area: 182 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 563.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement