Found 15 results

Search term: MF = 'C_{31}H_{42}O_{18}'
ChemSpider 2D Image | (1S,2R,3S,4R,5R,6R,7S,8R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-3,4,5,7,8,12-hexayl hexaacetate | C31H42O18

(1S,2R,3S,4R,5R,6R,7S,8R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate

  • Molecular FormulaC31H42O18
  • Average mass702.654 Da
  • Monoisotopic mass702.237122 Da
  • ChemSpider ID129165049

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1S,2R,3S,4R,5R,6R,7S,8R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3,4,5,7,8,12-hexayl-hexaacetat [German] [ACD/IUPAC Name]
(1S,2R,3S,4R,5R,6R,7S,8R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate [ACD/IUPAC Name]
2H-3,9a-Methano-1-benzoxepin-4,5,6,7,8,9,10-heptol, 2,5a-bis[(acetyloxy)methyl]octahydro-2,9-dimethyl-, 4,5,6,7,8,10-hexaacetate, (2R,4R,5S,5aR,6R,7R,8S,9R,9aS,10R)- [ACD/Index Name]
Hexaacétate de (1S,2R,3S,4R,5R,6R,7S,8R,10R,12R)-6,10-bis(acétoxyméthyl)-2-hydroxy-2,10-diméthyl-11-oxatricyclo[7.2.1.01,6]dodécane-3,4,5,7,8,12-hexayle [French] [ACD/IUPAC 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: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.98
ACD/KOC (pH 5.5): 801.26
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.98
ACD/KOC (pH 7.4): 801.25
Polar Surface Area: 240 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 509.7±5.0 cm3

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