ChemSpider 2D Image | (1R,2R,4S,5S,8S,9S,11S,14R,15R)-9,15-Dihydroxy-6,6,9-trimethyl-3,7,12-trioxapentacyclo[9.2.1.1~5,8~.0~1,8~.0~2,4~]pentadec-14-yl methanesulfonate | C16H24O8S

(1R,2R,4S,5S,8S,9S,11S,14R,15R)-9,15-Dihydroxy-6,6,9-trimethyl-3,7,12-trioxapentacyclo[9.2.1.15,8.01,8.02,4]pentadec-14-yl methanesulfonate

  • Molecular FormulaC16H24O8S
  • Average mass376.422 Da
  • Monoisotopic mass376.119202 Da
  • ChemSpider ID30656972

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,4S,5S,8S,9S,11S,14R,15R)-9,15-Dihydroxy-6,6,9-trimethyl-3,7,12-trioxapentacyclo[9.2.1.15,8.01,8.02,4]pentadec-14-yl methanesulfonate [ACD/IUPAC Name]
(1R,2R,4S,5S,8S,9S,11S,14R,15R)-9,15-Dihydroxy-6,6,9-trimethyl-3,7,12-trioxapentacyclo[9.2.1.15,8.01,8.02,4]pentadec-14-yl-methansulfonat [German] [ACD/IUPAC Name]
5H,9H-2,4a:7,9a-Dimethanooxepino[4,3-b]oxireno[d]oxepin-5,10,11-triol, hexahydro-3,3,5-trimethyl-, 10-methanesulfonate, (1aS,2S,4aS,5S,7S,9aR,9bR,10R,11R)- [ACD/Index Name]
Méthanesulfonate de (1R,2R,4S,5S,8S,9S,11S,14R,15R)-9,15-dihydroxy-6,6,9-triméthyl-3,7,12-trioxapentacyclo[9.2.1.15,8.01,8.02,4]pentadéc-14-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 170.95
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 170.95
Polar Surface Area: 123 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site


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