ChemSpider 2D Image | 1,3-Bis{(2R)-2-hydroxy-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one | C27H38N2O11

1,3-Bis{(2R)-2-hydroxy-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC27H38N2O11
  • Average mass566.597 Da
  • Monoisotopic mass566.247559 Da
  • ChemSpider ID30657457

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1,3-Bis{(2R)-2-hydroxy-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl}-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1,3-Bis{(2R)-2-hydroxy-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1,3-Bis{(2R)-2-hydroxy-2-[(3aR,5R,6S,6aR)-6-méthoxy-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]éthyl}-1,3-dihydro-2H-benzimidazol-2-one [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: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.7±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.19
ACD/KOC (pH 5.5): 1404.48
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.19
ACD/KOC (pH 7.4): 1404.49
Polar Surface Area: 138 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

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