ChemSpider 2D Image | 1-O-Carbamoyl-4-deoxy-2,3-O-isopropylidene-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylitol | C14H26N2O7

1-O-Carbamoyl-4-deoxy-2,3-O-isopropylidene-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylitol

  • Molecular FormulaC14H26N2O7
  • Average mass334.365 Da
  • Monoisotopic mass334.174011 Da
  • ChemSpider ID57588314
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-O-Carbamoyl-4-deoxy-2,3-O-isopropylidene-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylitol [ACD/IUPAC Name]
1-O-Carbamoyl-4-desoxy-2,3-O-isopropyliden-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-xylitol [German] [ACD/IUPAC Name]
1-O-Carbamoyl-4-désoxy-2,3-O-isopropylidène-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 4-deoxy-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-O-(1-methylethylidene)-, 1-carbamate [ACD/Index Name]
[(4S,5S)-5-[(1R)-1-{[(tert-butoxy)carbonyl]amino}-2-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl carbamate
126179-20-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 511.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 263.4±25.9 °C
Index of Refraction: 1.481
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 61.08
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 61.07
Polar Surface Area: 129 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 281.9±3.0 cm3

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