ChemSpider 2D Image | (1R,2R,5S,10S,11S,14R,16S,17S)-17-(Hydroxymethyl)-2,10-dimethyl-6,8-dioxa-7-thiapentacyclo[14.3.1.0~1,14~.0~2,11~.0~5,10~]icosan-17-ol 7-oxide | C20H32O5S

(1R,2R,5S,10S,11S,14R,16S,17S)-17-(Hydroxymethyl)-2,10-dimethyl-6,8-dioxa-7-thiapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-ol 7-oxide

  • Molecular FormulaC20H32O5S
  • Average mass384.530 Da
  • Monoisotopic mass384.197052 Da
  • ChemSpider ID58918237

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1R,2R,5S,10S,11S,14R,16S,17S) 7-Oxyde de 17-(hydroxyméthyl)-2,10-diméthyl-6,8-dioxa-7-thiapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-ol [French] [ACD/IUPAC Name]
(1R,2R,5S,10S,11S,14R,16S,17S)-17-(Hydroxymethyl)-2,10-dimethyl-6,8-dioxa-7-thiapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-ol 7-oxide [ACD/IUPAC Name]
(1R,2R,5S,10S,11S,14R,16S,17S)-17-(Hydroxymethyl)-2,10-dimethyl-6,8-dioxa-7-thiapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-ol-7-oxid [German] [ACD/IUPAC Name]
4H-8,11a-Methanocyclohepta[5,6]naphtho[2,1-d]-1,3,2-dioxathiin-9-methanol, tetradecahydro-9-hydroxy-4a,11b-dimethyl-, 2-oxide, (4aS,4bS,6aR,8S,9S,11aR,11bR,13aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.38
ACD/KOC (pH 5.5): 517.10
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.38
ACD/KOC (pH 7.4): 517.10
Polar Surface Area: 95 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

Click to predict properties on the Chemicalize site


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