ChemSpider 2D Image | 2-Methyl-2-propanyl [(10S,14E)-10-isobutyl-8,11-dioxo-15-(phenylsulfonyl)-3,6-dioxa-9,12-diazapentadec-14-en-1-yl]carbamate | C26H41N3O8S

2-Methyl-2-propanyl [(10S,14E)-10-isobutyl-8,11-dioxo-15-(phenylsulfonyl)-3,6-dioxa-9,12-diazapentadec-14-en-1-yl]carbamate

  • Molecular FormulaC26H41N3O8S
  • Average mass555.684 Da
  • Monoisotopic mass555.261414 Da
  • ChemSpider ID90636388

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(10S,14E)-10-Isobutyl-8,11-dioxo-15-(phénylsulfonyl)-3,6-dioxa-9,12-diazapentadéc-14-én-1-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(10S,14E)-10-isobutyl-8,11-dioxo-15-(phenylsulfonyl)-3,6-dioxa-9,12-diazapentadec-14-en-1-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(10S,14E)-10-isobutyl-8,11-dioxo-15-(phenylsulfonyl)-3,6-dioxa-9,12-diazapentadec-14-en-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(10S,14E)-10-(2-methylpropyl)-8,11-dioxo-15-(phenylsulfonyl)-3,6-dioxa-9,12-diazapentadec-14-en-1-yl]-, 1,1-dimethylethyl ester [ACD/Index 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: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.1±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.96
ACD/KOC (pH 5.5): 443.08
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.96
ACD/KOC (pH 7.4): 443.07
Polar Surface Area: 158 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 476.1±3.0 cm3

Click to predict properties on the Chemicalize site


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