ChemSpider 2D Image | 1,5-Anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-[(methylsulfonyl)amino]-D-erythro-pentitol | C11H21NO4S

1,5-Anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-[(methylsulfonyl)amino]-D-erythro-pentitol

  • Molecular FormulaC11H21NO4S
  • Average mass263.354 Da
  • Monoisotopic mass263.119141 Da
  • ChemSpider ID35098392

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-[(methylsulfonyl)amino]-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(cyclobutylmethyl)-2,4-didesoxy-4-[(methylsulfonyl)amino]-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(cyclobutylméthyl)-2,4-didésoxy-4-[(méthylsulfonyl)amino]-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-[(methylsulfonyl)amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4549623/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.4±30.7 °C
Index of Refraction: 1.515
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 74.50
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.13
Polar Surface Area: 73 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

Click to predict properties on the Chemicalize site


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