ChemSpider 2D Image | (1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)ethynyl]-D-mannitol | C29H31NO11S

(1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)ethynyl]-D-mannitol

  • Molecular FormulaC29H31NO11S
  • Average mass601.622 Da
  • Monoisotopic mass601.161804 Da
  • ChemSpider ID9596933

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)ethinyl]-D-mannitol [German] [ACD/IUPAC Name]
(1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)ethynyl]-D-mannitol [ACD/IUPAC Name]
(1R)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[(2-{[(4-méthylphényl)sulfonyl]amino}phényl)éthynyl]-D-mannitol [French] [ACD/IUPAC Name]
D-glycero-D-manno-Oct-7-ynitol, 2,6-anhydro-7,8-dideoxy-8-[2-[[(4-methylphenyl)sulfonyl]amino]phenyl]-, 1,3,4,5-tetraacetate [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: 683.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1078.09
ACD/KOC (pH 5.5): 5154.46
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 960.75
ACD/KOC (pH 7.4): 4593.40
Polar Surface Area: 169 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement