ChemSpider 2D Image | (3R,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Dimethyl-2'-(4-nitrophenoxy)hexahydro-2H,2'H-2,3'-bipyran-3,3',4,4',5,5'(4'H)-hexol (non-preferred name) | C18H25NO11

(3R,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Dimethyl-2'-(4-nitrophenoxy)hexahydro-2H,2'H-2,3'-bipyran-3,3',4,4',5,5'(4'H)-hexol (non-preferred name)

  • Molecular FormulaC18H25NO11
  • Average mass431.391 Da
  • Monoisotopic mass431.142761 Da
  • ChemSpider ID109121148

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3R,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Dimethyl-2'-(4-nitrophenoxy)hexahydro-2H,2'H-2,3'-bipyran-3,3',4,4',5,5'(4'H)-hexol (non-preferred name) [German] [ACD/IUPAC Name]
(3R,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Dimethyl-2'-(4-nitrophenoxy)hexahydro-2H,2'H-2,3'-bipyran-3,3',4,4',5,5'(4'H)-hexol (non-preferred name) [ACD/IUPAC Name]
(3R,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Diméthyl-2'-(4-nitrophénoxy)hexahydro-2H,2'H-2,3'-bipyrane-3,3',4,4',5,5'(4'H)-hexol (non-preferred name) [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: 705.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.2±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.45
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.45
Polar Surface Area: 195 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

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