ChemSpider 2D Image | (5R)-1,3-Di-O-acetyl-2,4-dideoxy-5-[(3S,4E,7S,9S)-9-(5-hydroxy-6-methoxy-7-methyl-1-benzofuran-2-yl)-3,5,7-trimethyl-4-decen-1-yl]-2,4-dimethyl-L-arabinopyranose | C34H50O8

(5R)-1,3-Di-O-acetyl-2,4-dideoxy-5-[(3S,4E,7S,9S)-9-(5-hydroxy-6-methoxy-7-methyl-1-benzofuran-2-yl)-3,5,7-trimethyl-4-decen-1-yl]-2,4-dimethyl-L-arabinopyranose

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID9344349

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5R)-1,3-Di-O-acetyl-2,4-dideoxy-5-[(3S,4E,7S,9S)-9-(5-hydroxy-6-methoxy-7-methyl-1-benzofuran-2-yl)-3,5,7-trimethyl-4-decen-1-yl]-2,4-dimethyl-L-arabinopyranose [ACD/IUPAC Name]
(5R)-1,3-Di-O-acetyl-2,4-didesoxy-5-[(3S,4E,7S,9S)-9-(5-hydroxy-6-methoxy-7-methyl-1-benzofuran-2-yl)-3,5,7-trimethyl-4-decen-1-yl]-2,4-dimethyl-L-arabinopyranose [German] [ACD/IUPAC Name]
(5R)-1,3-Di-O-acétyl-2,4-didésoxy-5-[(3S,4E,7S,9S)-9-(5-hydroxy-6-méthoxy-7-méthyl-1-benzofuran-2-yl)-3,5,7-triméthyl-4-décén-1-yl]-2,4-diméthyl-L-arabinopyranose [French] [ACD/IUPAC Name]
L-Arabinopyranose, 2,4-dideoxy-5-C-[(3S,4E,7S,9S)-9-(5-hydroxy-6-methoxy-7-methyl-2-benzofuranyl)-3,5,7-trimethyl-4-decen-1-yl]-2,4-dimethyl-, diacetate, (5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 404697.06
ACD/KOC (pH 5.5): 359040.44
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 401370.69
ACD/KOC (pH 7.4): 356089.34
Polar Surface Area: 104 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 521.1±5.0 cm3

Click to predict properties on the Chemicalize site


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