ChemSpider 2D Image | Benzyl 5-(hydroxyamino)-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-methylphenyl)sulfonyl]-L-norleucinate | C28H38N2O9S

Benzyl 5-(hydroxyamino)-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-methylphenyl)sulfonyl]-L-norleucinate

  • Molecular FormulaC28H38N2O9S
  • Average mass578.674 Da
  • Monoisotopic mass578.229797 Da
  • ChemSpider ID8636239

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

5-(Hydroxyamino)-6-[(3aR,4R,6R,6aR)-6-méthoxy-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-méthylphényl)sulfonyl]-L-norleucinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-(hydroxyamino)-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-methylphenyl)sulfonyl]-L-norleucinate [ACD/IUPAC Name]
Benzyl-5-(hydroxyamino)-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4-methylphenyl)sulfonyl]-L-norleucinat [German] [ACD/IUPAC Name]
β-D-allo-Decofuranosiduronic acid, methyl 5,6,7,8,9-pentadeoxy-6-(hydroxyamino)-2,3-O-(1-methylethylidene)-9-[[(4-methylphenyl)sulfonyl]amino]-, phenylmethyl ester, (6ξ)- [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: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.596
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 189.53
ACD/KOC (pH 5.5): 1292.15
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 300.31
ACD/KOC (pH 7.4): 2047.41
Polar Surface Area: 150 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement