ChemSpider 2D Image | Ethyl (5S)-N-acetyl-5-{[(benzyloxy)carbonyl]amino}-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-D-norleucinate | C26H38N2O9

Ethyl (5S)-N-acetyl-5-{[(benzyloxy)carbonyl]amino}-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-D-norleucinate

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID8991180

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-N-Acétyl-5-{[(benzyloxy)carbonyl]amino}-6-[(3aR,4R,6R,6aR)-6-méthoxy-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl]-D-norleucinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (5S)-N-acetyl-5-{[(benzyloxy)carbonyl]amino}-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-D-norleucinate [ACD/IUPAC Name]
Ethyl-(5S)-N-acetyl-5-{[(benzyloxy)carbonyl]amino}-6-[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-D-norleucinat [German] [ACD/IUPAC Name]
L-glycero-α-L-talo-Decofuranosiduronic acid, methyl 9-(acetylamino)-5,6,7,8,9-pentadeoxy-2,3-O-(1-methylethylidene)-6-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.57
ACD/KOC (pH 5.5): 617.42
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.57
ACD/KOC (pH 7.4): 617.41
Polar Surface Area: 131 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 424.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement