ChemSpider 2D Image | {4-[(2S)-2-[(3-Carboxypropanoyl)amino]-3-(decylamino)-3-oxopropyl]phenoxy}malonic acid | C26H38N2O9

{4-[(2S)-2-[(3-Carboxypropanoyl)amino]-3-(decylamino)-3-oxopropyl]phenoxy}malonic acid

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID9093638

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(2S)-2-[(3-Carboxypropanoyl)amino]-3-(decylamino)-3-oxopropyl]phenoxy}malonic acid [ACD/IUPAC Name]
{4-[(2S)-2-[(3-Carboxypropanoyl)amino]-3-(decylamino)-3-oxopropyl]phenoxy}malonsäure [German] [ACD/IUPAC Name]
Acide {4-[(2S)-2-[(3-carboxypropanoyl)amino]-3-(décylamino)-3-oxopropyl]phénoxy}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[4-[(2S)-2-[(3-carboxy-1-oxopropyl)amino]-3-(decylamino)-3-oxopropyl]phenoxy]- [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: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.68
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

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