ChemSpider 2D Image | (6R,8S,9R,12R,16S,17R)-9,17-Dihydroxy-6-[(4-methoxybenzyl)oxy]-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadec-12-yl 4-morpho linecarboxylate | C33H39NO14

(6R,8S,9R,12R,16S,17R)-9,17-Dihydroxy-6-[(4-methoxybenzyl)oxy]-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-12-yl 4-morpho linecarboxylate

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID9471834

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(6R,8S,9R,12R,16S,17R)-9,17-Dihydroxy-6-[(4-methoxybenzyl)oxy]-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-12-yl 4-morpho linecarboxylate [ACD/IUPAC Name]
(6R,8S,9R,12R,16S,17R)-9,17-Dihydroxy-6-[(4-methoxybenzyl)oxy]-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-12-yl-4-morpho lincarboxylat [German] [ACD/IUPAC Name]
4-Morpholinecarboxylate de (6R,8S,9R,12R,16S,17R)-9,17-dihydroxy-6-[(4-méthoxybenzyl)oxy]-16-méthyl-8-(2-méthyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tétraoxahexacyclo[8.7.2.01,11.03,7.07,11.013 ,17]nonadéc-12-yle [French] [ACD/IUPAC Name]
4-Morpholinecarboxylic acid, (1R,4bR,5S,8R,10R,11S)-11-(1,1-dimethylethyl)octahydro-4b,10-dihydroxy-1-[(4-methoxyphenyl)methoxy]-5-methyl-2,6,13-trioxo-6H-9,4a-(epoxymethano)-3aH,9H-cyclopenta[c]furo[ 2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-8-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 908.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 503.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.92
ACD/KOC (pH 5.5): 153.04
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.91
ACD/KOC (pH 7.4): 152.92
Polar Surface Area: 186 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

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