ChemSpider 2D Image | Benzyl {4-[(3S,6R)-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl}carbamate | C31H45N3O7

Benzyl {4-[(3S,6R)-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl}carbamate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID5040995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{4-[(3S,6R)-6-(2-{[1-(Hydroxyméthyl)cyclopentyl]amino}-2-oxoéthyl)-5,13-dioxo-1-oxa-4-azacyclotridéc-8-én-3-yl]butyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {4-[(3S,6R)-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl}carbamate [ACD/IUPAC Name]
Benzyl-{4-[(3S,6R)-6-(2-{[1-(hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[(3S,6R)-6-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-3-yl]butyl]-, phenylmethyl ester [ACD/Index Name]
AML1_003444

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

Density: 1.2±0.1 g/cm3
Boiling Point: 861.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 475.0±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.71
ACD/KOC (pH 5.5): 649.98
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.71
ACD/KOC (pH 7.4): 649.98
Polar Surface Area: 143 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 473.3±5.0 cm3

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