ChemSpider 2D Image | sipholenoside B | C36H62O8

sipholenoside B

  • Molecular FormulaC36H62O8
  • Average mass622.873 Da
  • Monoisotopic mass622.444458 Da
  • ChemSpider ID8921798

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(1R,3aR,5S,8aR)-5-{2-[(3R,5aR,6R,7S)-3,7-Dihydroxy-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-6-yl]ethyl}-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(1R,3aR,5S,8aR)-5-{2-[(3R,5aR,6R,7S)-3,7-Dihydroxy-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-6-yl]ethyl}-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (1R,3aR,5S,8aR)-5-{2-[(3R,5aR,6R,7S)-3,7-dihydroxy-2,2,5a,7-tétraméthyldécahydro-1-benzoxépin-6-yl]éthyl}-1,4,4,6-tétraméthyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulényl e [French] [ACD/IUPAC Name]
sipholenoside B
α-L-Mannopyranoside, (1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-decahydro-3,7-dihydroxy-2,2,5a,7-tetramethyl-1-benzoxepin-6-yl]ethyl]-1,2,3,3a,4,5,8,8a-octahydro-1,4,4,6-tetramethyl-1-azulenyl 6-deoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63199.41
ACD/KOC (pH 5.5): 95045.48
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63199.07
ACD/KOC (pH 7.4): 95044.97
Polar Surface Area: 129 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 527.9±5.0 cm3

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