ChemSpider 2D Image | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetrade cino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(3-pyridinyl)-1-pyrrolidinecarboxylate | C43H68N4O11

(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetrade cino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(3-pyridinyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC43H68N4O11
  • Average mass817.020 Da
  • Monoisotopic mass816.488464 Da
  • ChemSpider ID29414463

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2R)-4,4-Diméthyl-2-(3-pyridinyl)-1-pyrrolidinecarboxylate de (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-éthyl-11-méthoxy-3a,7,9,11,13,15-hexaméthyl-2,6,14-trioxo-10-{[3,4,6-tridésoxy-3-(diméthylamino)- ;β-D-xylo-hexopyranosyl]oxy}tétradécahydro-2H-oxacyclotétradécino[4,3-d][1,3]oxazol-8-yle [French] [ACD/IUPAC Name]
(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetrade cino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(3-pyridinyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetrad ecino[4,3-d][1,3]oxazol-8-yl-(2R)-4,4-dimethyl-2-(3-pyridinyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4,4-dimethyl-2-(3-pyridinyl)-, (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyltetradecahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-[[3,4,6-trideoxy-3-(dim ;ethylamino)-β-D-xylo-hexopyranosyl]oxy]-2H-oxacyclotetradecino[4,3-d]oxazol-8-yl ester, (2R)- [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: 901.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 498.8±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 215.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 6.21
ACD/KOC (pH 5.5): 23.27
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 453.65
ACD/KOC (pH 7.4): 1700.62
Polar Surface Area: 175 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 672.1±5.0 cm3

Click to predict properties on the Chemicalize site


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