Found 87 results

Search term: MF = 'C_{22}H_{36}N_{2}O_{7}'
ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,4R,6R)-3,6-dihydroxy-4-{[4-methoxy-3-(2-methoxyethoxy)benzyl]amino}-1-azepanecarboxylate | C22H36N2O7

2-Methyl-2-propanyl (3R,4R,6R)-3,6-dihydroxy-4-{[4-methoxy-3-(2-methoxyethoxy)benzyl]amino}-1-azepanecarboxylate

  • Molecular FormulaC22H36N2O7
  • Average mass440.530 Da
  • Monoisotopic mass440.252258 Da
  • ChemSpider ID68645293

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,6R)-3,6-Dihydroxy-4-{[4-méthoxy-3-(2-méthoxyéthoxy)benzyl]amino}-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Azepine-1-carboxylic acid, hexahydro-3,6-dihydroxy-4-[[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]-, 1,1-dimethylethyl ester, (3R,4R,6R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4R,6R)-3,6-dihydroxy-4-{[4-methoxy-3-(2-methoxyethoxy)benzyl]amino}-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4R,6R)-3,6-dihydroxy-4-{[4-methoxy-3-(2-methoxyethoxy)benzyl]amino}-1-azepancarboxylat [German] [ACD/IUPAC 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: 584.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.12
Polar Surface Area: 110 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 363.9±5.0 cm3

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