ChemSpider 2D Image | Benzyl {4-[(3S,6R)-6-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl}carbamate | C31H45N3O7

Benzyl {4-[(3S,6R)-6-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl}carbamate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID5041619

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{4-[(3S,6R)-6-{2-[(2S)-2-(Hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-5,14-dioxo-1-oxa-4-azacyclotétradéc-8-én-3-yl]butyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {4-[(3S,6R)-6-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl}carbamate [ACD/IUPAC Name]
Benzyl-{4-[(3S,6R)-6-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[(3S,6R)-6-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-3-yl]butyl]-, phenylmethyl ester [ACD/Index Name]
AML1_004087

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

Density: 1.1±0.1 g/cm3
Boiling Point: 841.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 463.0±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 153.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.18
ACD/KOC (pH 5.5): 773.84
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.18
ACD/KOC (pH 7.4): 773.84
Polar Surface Area: 134 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 503.9±3.0 cm3

Click to predict properties on the Chemicalize site


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