ChemSpider 2D Image | (6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-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-9-yl methylcarbamate | C29H33NO12

(6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-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-9-yl methylcarbamate

  • Molecular FormulaC29H33NO12
  • Average mass587.572 Da
  • Monoisotopic mass587.200256 Da
  • ChemSpider ID9355892

  • 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)-6-(Benzyloxy)-12,17-dihydroxy-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-9-yl methylcarbamate [ACD/IUPAC Name]
(6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-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-9-yl-methylcarbamat [German] [ACD/IUPAC Name]
6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-4b,8-dihydroxy-5-methyl-10-[[(methylamino)carbonyl]oxy]-1 -(phenylmethoxy)-, (1R,4bR,5S,8R,10R,11S)- [ACD/Index Name]
Méthylcarbamate de (6R,8S,9R,12R,16S,17R)-6-(benzyloxy)-12,17-dihydroxy-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-9-yle [French] [ACD/IUPAC 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: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.24
ACD/KOC (pH 5.5): 244.54
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.23
ACD/KOC (pH 7.4): 244.41
Polar Surface Area: 176 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

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