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Search term: IUSUBEQTXUIFPO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C27H44O9

2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID9289099
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

2,3,4-Tri-O-acétyl-6-désoxy-α-L-mannopyranoside de 2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-diméthyldécahydro-2-naphtalényl]-2-propanyle [French] [ACD/IUPAC Name]
2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalinyl]-2-propanyl-2,3,4-tri-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, 1-[(2R,4aR,8R,8aR)-decahydro-8-hydroxy-4a,8-dimethyl-2-naphthalenyl]-1-methylethyl 6-deoxy-, triacetate [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: 547.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 167.2±23.6 °C
Index of Refraction: 1.512
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1480.17
ACD/KOC (pH 5.5): 6470.04
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1480.17
ACD/KOC (pH 7.4): 6470.04
Polar Surface Area: 118 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

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