ChemSpider 2D Image | N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide | C29H37N3O6

N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide

  • Molecular FormulaC29H37N3O6
  • Average mass523.621 Da
  • Monoisotopic mass523.268250 Da
  • ChemSpider ID32055590

More details:

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

Dibenz[b,f]azocine-5(6H)-butanamide, N-(14-amino-3,6,9,12-tetraoxatetradec-1-yl)-11,12-didehydro-γ-oxo- [ACD/Index Name]
N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamid [German] [ACD/IUPAC Name]
N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)-4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide [ACD/IUPAC Name]
N-(14-Amino-3,6,9,12-tétraoxatétradéc-1-yl)-4-(11,12-didéhydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanamide [French] [ACD/IUPAC Name]
1255942-08-5 [RN]
1840886-10-3 [RN]
DBCO-CONH-PEG4-amine
DBCO-PEG4-amine
DBCO-PEG4-amine TFA salt
MFCD22380748
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 784.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.0±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.29
Polar Surface Area: 112 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 425.2±5.0 cm3

Click to predict properties on the Chemicalize site


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