ChemSpider 2D Image | (2R,3S,6S)-3-(Benzyloxy)-2-[(benzyloxy)methyl]-6-{[(5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-4H-pyran-4-one | C32H40O10

(2R,3S,6S)-3-(Benzyloxy)-2-[(benzyloxy)methyl]-6-{[(5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-4H-pyran-4-one

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID9299884

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,3S,6S)-3-(Benzyloxy)-2-[(benzyloxy)methyl]-6-{[(5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
(2R,3S,6S)-3-(Benzyloxy)-2-[(benzyloxy)methyl]-6-{[(5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-4H-pyran-4-one [ACD/IUPAC Name]
(2R,3S,6S)-3-(Benzyloxy)-2-[(benzyloxy)méthyl]-6-{[(5R,5aS,8aS,8bR)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]méthoxy}tétrahydro-4H-pyran-4-one [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: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 281.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19576.51
ACD/KOC (pH 5.5): 41078.09
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19576.51
ACD/KOC (pH 7.4): 41078.09
Polar Surface Area: 100 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

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