ChemSpider 2D Image | (2R,4aR,6R,7S,8R,8aR)-8-(Benzyloxy)-2-phenyl-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}hexahydropyrano[3,2-d][1,3]dioxin-7-ol (non-pre ferred name) | C32H40O11

(2R,4aR,6R,7S,8R,8aR)-8-(Benzyloxy)-2-phenyl-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}hexahydropyrano[3,2-d][1,3]dioxin-7-ol (non-pre ferred name)

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID9745477

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R,4aR,6R,7S,8R,8aR)-8-(Benzyloxy)-2-phenyl-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}hexahydropyrano[3,2-d][1,3]dioxin-7-ol (non-pre ferred name) [ACD/IUPAC Name]
(2R,4aR,6R,7S,8R,8aR)-8-(Benzyloxy)-2-phenyl-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}hexahydropyrano[3,2-d][1,3]dioxin-7-ol (non-pre ferred name) [German] [ACD/IUPAC Name]
(2R,4aR,6R,7S,8R,8aR)-8-(Benzyloxy)-2-phényl-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]méthoxy}hexahydropyrano[3,2-d][1,3]dioxin-7-ol (non-pre ferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51129.39
ACD/KOC (pH 5.5): 81667.33
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51129.11
ACD/KOC (pH 7.4): 81666.88
Polar Surface Area: 113 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 445.6±5.0 cm3

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