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-oxacyclotetradecino[4,3-D][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino | C44H66N4O12

(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-oxacyclotetradecino[4,3-D][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino

  • Molecular FormulaC44H66N4O12
  • Average mass843.014 Da
  • Monoisotopic mass842.467712 Da
  • ChemSpider ID35033617

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2R)-2-(4-Acétamidophényl)-2,3-dihydro-1H-pyrrole-1-carboxylate 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-(diméthylam ;ino)-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)-2-(4-acetamidophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate [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-oxacyclotetradecino[4,3-D][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino
(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)-2-(4-acetamidophenyl)-2,3-dihydro-1H-pyrrol-1-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrrole-1-carboxylic acid, 2-[4-(acetylamino)phenyl]-2,3-dihydro-, (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-trideo ;xy-3-(dimethylamino)-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

Density: 1.2±0.1 g/cm3
Boiling Point: 967.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 539.0±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 221.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 12.86
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 119.27
ACD/KOC (pH 7.4): 654.66
Polar Surface Area: 192 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 675.6±5.0 cm3

Click to predict properties on the Chemicalize site


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