ChemSpider 2D Image | (6S,8S,12S,16S,17R)-6-(Benzyloxy)-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-trione | C27H30O10

(6S,8S,12S,16S,17R)-6-(Benzyloxy)-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-trione

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID8464773

  • defined stereocentres - 5 of 11 defined stereocentres

More details:

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

(6S,8S,12S,16S,17R)-6-(Benzyloxy)-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-trion [German] [ACD/IUPAC Name]
(6S,8S,12S,16S,17R)-6-(Benzyloxy)-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-trione [ACD/IUPAC Name]
(6S,8S,12S,16S,17R)-6-(Benzyloxy)-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-trione [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)hexahydro-4b,8-dihydroxy-5-methyl-1-(phenylmethoxy)-, (1S,4bR,5S,8S ,11S)- [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: 788.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 268.1±26.4 °C
Index of Refraction: 1.645
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: 2.88
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.66
ACD/KOC (pH 5.5): 271.76
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.65
ACD/KOC (pH 7.4): 271.70
Polar Surface Area: 138 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 341.3±5.0 cm3

Click to predict properties on the Chemicalize site


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