ChemSpider 2D Image | 6-Deoxy-3-O-heptyl-1,2-O-isopropylidene-5-O-{[(4-methylphenyl)sulfonyl]carbamoyl}-6-(1-pyrrolidinyl)-beta-L-idofuranose | C28H44N2O8S

6-Deoxy-3-O-heptyl-1,2-O-isopropylidene-5-O-{[(4-methylphenyl)sulfonyl]carbamoyl}-6-(1-pyrrolidinyl)-β-L-idofuranose

  • Molecular FormulaC28H44N2O8S
  • Average mass568.723 Da
  • Monoisotopic mass568.281860 Da
  • ChemSpider ID9709311

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

6-Deoxy-3-O-heptyl-1,2-O-isopropylidene-5-O-{[(4-methylphenyl)sulfonyl]carbamoyl}-6-(1-pyrrolidinyl)-β-L-idofuranose [ACD/IUPAC Name]
6-Desoxy-3-O-heptyl-1,2-O-isopropyliden-5-O-{[(4-methylphenyl)sulfonyl]carbamoyl}-6-(1-pyrrolidinyl)-β-L-idofuranose [German] [ACD/IUPAC Name]
6-Désoxy-3-O-heptyl-1,2-O-isopropylidène-5-O-{[(4-méthylphényl)sulfonyl]carbamoyl}-6-(1-pyrrolidinyl)-β-L-idofuranose [French] [ACD/IUPAC Name]
β-L-Idofuranose, 6-deoxy-3-O-heptyl-1,2-O-(1-methylethylidene)-6-(1-pyrrolidinyl)-, 5-[[(4-methylphenyl)sulfonyl]carbamate] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 85.01
ACD/KOC (pH 5.5): 160.65
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 93.57
ACD/KOC (pH 7.4): 176.81
Polar Surface Area: 121 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 454.9±5.0 cm3

Click to predict properties on the Chemicalize site


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