ChemSpider 2D Image | (3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-6-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate | C26H30N2O9

(3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-6-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate

  • Molecular FormulaC26H30N2O9
  • Average mass514.524 Da
  • Monoisotopic mass514.195129 Da
  • ChemSpider ID9378144

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-6-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate [ACD/IUPAC Name]
(3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-6-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(3S,6S,7R,8R)-8-benzyl-3-{[(3-hydroxy-6-methoxypyridin-2-yl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)
2-Méthylpropanoate de (3S,6S,7R,8R)-8-benzyl-3-{[(3-hydroxy-6-méthoxy-2-pyridinyl)carbonyl]amino}-6-méthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-6-methoxy-pyridine-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 428.1±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 62.52
ACD/KOC (pH 5.5): 565.09
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 16.31
Polar Surface Area: 150 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

Click to predict properties on the Chemicalize site


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