Found 246 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{7}'
ChemSpider 2D Image | 2-(2-Pyridinyl)-N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]acetamide | C21H32N4O7

2-(2-Pyridinyl)-N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]acetamide

  • Molecular FormulaC21H32N4O7
  • Average mass452.501 Da
  • Monoisotopic mass452.227112 Da
  • ChemSpider ID35293679

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(2-Pyridinyl)-N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]acetamid [German] [ACD/IUPAC Name]
2-(2-Pyridinyl)-N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]acetamide [ACD/IUPAC Name]
2-(2-Pyridinyl)-N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-méthyl-6,8-bis(méthylamino)décahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]acétamide [French] [ACD/IUPAC Name]
2-Pyridineacetamide, N-[(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-2H-pyrano[2,3-b][1,4]benzodioxin-4-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -4.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 323.7±5.0 cm3

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