ChemSpider 2D Image | N-Methyl-N-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-L-aspartic acid | C32H26N2O10S2

N-Methyl-N-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-L-aspartic acid

  • Molecular FormulaC32H26N2O10S2
  • Average mass662.686 Da
  • Monoisotopic mass662.102905 Da
  • ChemSpider ID571209
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acide N-méthyl-N-{2-[(2-naphtylsulfonyl)amino]-5-[(2-naphtylsulfonyl)oxy]benzoyl}-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-methyl-N-[2-[(2-naphthalenylsulfonyl)amino]-5-[(2-naphthalenylsulfonyl)oxy]benzoyl]- [ACD/Index Name]
N-Methyl-N-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-L-asparaginsäure [German] [ACD/IUPAC Name]
N-Methyl-N-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-L-aspartic acid [ACD/IUPAC Name]
(S)-2-{METHYL-[2-(NAPHTHALENE-2-SULFONYLAMINO)-5-(NAPHTHALENE-2-SULFONYLOXY)-BENZOYL]-AMINO}-SUCCINIC ACID
(S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid
TAV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 918.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 509.1±37.1 °C
Index of Refraction: 1.707
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 434.9±3.0 cm3

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