ChemSpider 2D Image | MFCD00196198 | C51H64N4O13

MFCD00196198

  • Molecular FormulaC51H64N4O13
  • Average mass941.073 Da
  • Monoisotopic mass940.446960 Da
  • ChemSpider ID3297663

More details:

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

3-({2-[16-(2-{[1-(Benzyloxy)-3-oxo-4-phénoxy-2-butanyl]amino}-2-oxoéthyl)-1,4,10,13-tétraoxa-7,16-diazacyclooctadécan-7-yl]acétyl}amino)-4-oxo-5-phénoxypentanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-({[16-(2-{[1-(benzyloxy)-3-oxo-4-phenoxy-2-butanyl]amino}-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]acetyl}amino)-4-oxo-5-phenoxypentanoate [ACD/IUPAC Name]
BENZYL 3-[({16-[2-({1-[(BENZYLOXY)METHYL]-2-OXO-3-PHENOXYPROPYL}AMINO)-2-OXOETHYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECAN-7-YL}ACETYL)AMINO]-4-OXO-5-PHENOXYPENTANOATE
Benzyl-3-({[16-(2-{[1-(benzyloxy)-3-oxo-4-phenoxy-2-butanyl]amino}-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]acetyl}amino)-4-oxo-5-phenoxypentanoat [German] [ACD/IUPAC Name]
MFCD00196198
Pentanoic acid, 4-oxo-3-[[2-[16-[2-oxo-2-[[2-oxo-3-phenoxy-1-[(phenylmethoxy)methyl]propyl]amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]-5-phenoxy-, phenylmethyl 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: 1058.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 593.8±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 250.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 19.32
ACD/KOC (pH 5.5): 64.78
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3405.71
ACD/KOC (pH 7.4): 11418.26
Polar Surface Area: 190 Å2
Polarizability: 99.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 797.2±3.0 cm3

Click to predict properties on the Chemicalize site


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