ChemSpider 2D Image | 2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-3,3-dimethylbutyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate | C31H45N3O7

2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-3,3-dimethylbutyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID3866209

More details:

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

2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-3,3-dimethylbutyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate [ACD/IUPAC Name]
2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-3,3-dimethylbutyl-2-{[(benzyloxy)carbonyl]amino}-4-pentenoat [German] [ACD/IUPAC Name]
2-{[(Benzyloxy)carbonyl]amino}-4-penténoate de 2-[(2-{2-[2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-4-pentenoyl)amino]-3,3-diméthylbutyle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, 2-[[2-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3,3-dimethylbutyl ester [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: 766.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.80
ACD/KOC (pH 5.5): 2530.58
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.64
ACD/KOC (pH 7.4): 2529.61
Polar Surface Area: 134 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 500.5±3.0 cm3

Click to predict properties on the Chemicalize site


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