ChemSpider 2D Image | Methyl 6-deoxy-2-O-[3-(7-isopropyl-1-methyl-4-azulenyl)propanoyl]-3,4-di-O-propionyl-6-(propionylamino)-alpha-D-mannopyranoside | C33H45NO9

Methyl 6-deoxy-2-O-[3-(7-isopropyl-1-methyl-4-azulenyl)propanoyl]-3,4-di-O-propionyl-6-(propionylamino)-α-D-mannopyranoside

  • Molecular FormulaC33H45NO9
  • Average mass599.712 Da
  • Monoisotopic mass599.309448 Da
  • ChemSpider ID9730969

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Désoxy-2-O-[3-(7-isopropyl-1-méthyl-4-azulényl)propanoyl]-3,4-di-O-propionyl-6-(propionylamino)-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-deoxy-2-O-[3-(7-isopropyl-1-methyl-4-azulenyl)propanoyl]-3,4-di-O-propionyl-6-(propionylamino)-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-6-desoxy-2-O-[3-(7-isopropyl-1-methyl-4-azulenyl)propanoyl]-3,4-di-O-propionyl-6-(propionylamino)-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 6-deoxy-6-[(1-oxopropyl)amino]-, 2-[3-[1-methyl-7-(1-methylethyl)-4-azulenyl]propanoate] 3,4-dipropanoate [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: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19391.21
ACD/KOC (pH 5.5): 40799.41
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19391.23
ACD/KOC (pH 7.4): 40799.45
Polar Surface Area: 126 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 506.1±5.0 cm3

Click to predict properties on the Chemicalize site


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