ChemSpider 2D Image | (1R,3R,6R,7R,8S,9S,10S,11S,13S,16S,17R)-6-(Benzyloxy)-9-fluoro-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-tr ione | C27H29FO10

(1R,3R,6R,7R,8S,9S,10S,11S,13S,16S,17R)-6-(Benzyloxy)-9-fluoro-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-tr ione

  • Molecular FormulaC27H29FO10
  • Average mass532.512 Da
  • Monoisotopic mass532.174500 Da
  • ChemSpider ID9988108

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3R,6R,7R,8S,9S,10S,11S,13S,16S,17R)-6-(Benzyloxy)-9-fluor-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-5,15,18-trio n [German] [ACD/IUPAC Name]
(1R,3R,6R,7R,8S,9S,10S,11S,13S,16S,17R)-6-(Benzyloxy)-9-fluoro-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-tr ione [ACD/IUPAC Name]
(1R,3R,6R,7R,8S,9S,10S,11S,13S,16S,17R)-6-(Benzyloxy)-9-fluoro-12,17-dihydroxy-16-méthyl-8-(2-méthyl-2-propanyl)-2,4,14,19-tétraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadécane-5,15,18-tr ione [French] [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)-10-fluorohexahydro-4b,8-dihydroxy-5-methyl-1-(phenylmethoxy)-, (1R ,3aR,4aR,4bR,5S,7aS,8aS,9S,10S,11S,11aR)- [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: 795.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.91
ACD/KOC (pH 5.5): 296.08
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.89
ACD/KOC (pH 7.4): 295.91
Polar Surface Area: 138 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 346.8±5.0 cm3

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