ChemSpider 2D Image | (1S)-1,5-Anhydro-4-O-alpha-D-galactopyranosyl-1-sulfamoyl-D-galactitol | C12H23NO12S

(1S)-1,5-Anhydro-4-O-α-D-galactopyranosyl-1-sulfamoyl-D-galactitol

  • Molecular FormulaC12H23NO12S
  • Average mass405.375 Da
  • Monoisotopic mass405.094086 Da
  • ChemSpider ID25058030

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-4-O-α-D-galactopyranosyl-1-sulfamoyl-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-4-O-α-D-galactopyranosyl-1-sulfamoyl-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-4-O-α-D-galactopyranosyl-1-sulfamoyl-D-galactitol [French] [ACD/IUPAC Name]
(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2-sulfonamide
D-Galactitol, 1-C-(aminosulfonyl)-1,5-anhydro-4-O-α-D-galactopyranosyl-, (1S)- [ACD/Index Name]
2SD

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

Density: 1.9±0.1 g/cm3
Boiling Point: 791.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 432.3±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 81.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -4.48
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 117.3±5.0 dyne/cm
Molar Volume: 219.0±5.0 cm3

Click to predict properties on the Chemicalize site


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