ChemSpider 2D Image | N-Acetylvalyl-alpha-aspartylvalylalanyl-N-(4-nitrophenyl)-alpha-asparagine | C29H41N7O12

N-Acetylvalyl-α-aspartylvalylalanyl-N-(4-nitrophenyl)-α-asparagine

  • Molecular FormulaC29H41N7O12
  • Average mass679.675 Da
  • Monoisotopic mass679.281311 Da
  • ChemSpider ID28468841

More details:

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

N-Acetylvalyl-α-asparagylvalylalanyl-N-(4-nitrophenyl)-α-asparagin [German] [ACD/IUPAC Name]
N-Acetylvalyl-α-aspartylvalylalanyl-N-(4-nitrophenyl)-α-asparagine [ACD/IUPAC Name]
N-Acétylvalyl-α-aspartylvalylalanyl-N-(4-nitrophényl)-α-asparagine [French] [ACD/IUPAC Name]
α-Asparagine, N-acetylvalyl-α-aspartylvalylalanyl-N-(4-nitrophenyl)- [ACD/Index Name]
189684-53-5 [RN]
3-(2-{2-[3-CARBOXY-2-(2-ACETAMIDO-3-METHYLBUTANAMIDO)PROPANAMIDO]-3-METHYLBUTANAMIDO}PROPANAMIDO)-3-[(4-NITROPHENYL)CARBAMOYL]PROPANOIC ACID
3-[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid
AC-VDVAD-PNA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1160.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.6±3.0 kJ/mol
Flash Point: 655.8±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 502.6±3.0 cm3

Click to predict properties on the Chemicalize site


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