Found 39 results

Search term: MF = 'C_{21}H_{39}N_{3}O_{5}'
ChemSpider 2D Image | 2-Methyl-2-propanyl (3aR,6aR)-3a-{[1-methoxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-propanyl]amino}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | C21H39N3O5

2-Methyl-2-propanyl (3aR,6aR)-3a-{[1-methoxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-propanyl]amino}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC21H39N3O5
  • Average mass413.552 Da
  • Monoisotopic mass413.288971 Da
  • ChemSpider ID96649449

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3aR,6aR)-3a-{[1-Méthoxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-propanyl]amino}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aR,6aR)-3a-{[1-methoxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-propanyl]amino}hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,6aR)-3a-{[1-methoxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-propanyl]amino}hexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 3a-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(methoxymethyl)ethyl]amino]hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)- [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: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 35.09
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 184.24
ACD/KOC (pH 7.4): 1225.13
Polar Surface Area: 89 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 372.1±5.0 cm3

Click to predict properties on the Chemicalize site


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