ChemSpider 2D Image | Dabsyl-L-tryptophan | C25H25N5O4S

Dabsyl-L-tryptophan

  • Molecular FormulaC25H25N5O4S
  • Average mass491.562 Da
  • Monoisotopic mass491.162720 Da
  • ChemSpider ID24589755

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

97685-00-2 [RN]
Dabsyl-L-tryptophan
L-Tryptophan, N-[[4-[(E)-2-[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonyl]- [ACD/Index Name]
N-[(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}phenyl)sulfonyl]-L-tryptophan [ACD/IUPAC Name]
N-[(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}phenyl)sulfonyl]-L-tryptophan [German] [ACD/IUPAC Name]
N-[(4-{(E)-[4-(Diméthylamino)phényl]diazényl}phényl)sulfonyl]-L-tryptophane [French] [ACD/IUPAC Name]
N-[[4-[2-[4-(Dimethylamino)phenyl]diazenyl]phenyl]sulfonyl]-L-tryptophan
(2S)-2-{4-[(1E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzenesulfonamido}-3-(1H-indol-3-yl)propanoic acid
(2S)-2-{4-[(E)-2-[4-(DIMETHYLAMINO)PHENYL]DIAZEN-1-YL]BENZENESULFONAMIDO}-3-(1H-INDOL-3-YL)PROPANOIC ACID
[97685-00-2] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 766.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.6±35.7 °C
Index of Refraction: 1.665
Molar Refractivity: 134.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 21.15
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 136 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 363.3±7.0 cm3

Click to predict properties on the Chemicalize site


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