Found 1 result

Search term: 29214873 (Found by CSID)
ChemSpider 2D Image | (4S,6R)-6-Butoxy-9,11-dihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione | C19H26O7

(4S,6R)-6-Butoxy-9,11-dihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione

  • Molecular FormulaC19H26O7
  • Average mass366.405 Da
  • Monoisotopic mass366.167847 Da
  • ChemSpider ID29214873

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6R)-6-Butoxy-9,11-dihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecin-2,8(1H)-dion [German] [ACD/IUPAC Name]
(4S,6R)-6-Butoxy-9,11-dihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione [ACD/IUPAC Name]
(4S,6R)-6-Butoxy-9,11-dihydroxy-10-méthoxy-4-méthyl-4,5,6,7-tétrahydro-2H-3-benzoxécine-2,8(1H)-dione [French] [ACD/IUPAC Name]
2H-3-Benzoxecin-2,8(1H)-dione, 6-butoxy-4,5,6,7-tetrahydro-9,11-dihydroxy-10-methoxy-4-methyl-, (4S,6R)- [ACD/Index Name]
xestodecalactone E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 217.7±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.16
ACD/KOC (pH 5.5): 942.05
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 36.29
ACD/KOC (pH 7.4): 337.96
Polar Surface Area: 102 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 290.6±5.0 cm3

Click to predict properties on the Chemicalize site


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