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Search term: RSYTXXARKSZDKY-PUHATCMVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE | C28H43IN4O8S

4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE

  • Molecular FormulaC28H43IN4O8S
  • Average mass722.633 Da
  • Monoisotopic mass722.184631 Da
  • ChemSpider ID65321504

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,2S)-2-{(Z)-[(2S)-1-Hydroxy-2-{(Z)-[1-hydroxy-2-(4-hydroxy-3-iod-5-nitrophenyl)ethyliden]amino}-4-methylpentyliden]amino}-4-methyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]pentanimidsäur e [German] [ACD/IUPAC Name]
(1Z,2S)-2-{(Z)-[(2S)-1-Hydroxy-2-{(Z)-[1-hydroxy-2-(4-hydroxy-3-iodo-5-nitrophenyl)ethylidene]amino}-4-methylpentylidene]amino}-4-methyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]pentanimidi c acid [ACD/IUPAC Name]
4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
Acide (1Z,2S)-2-{(Z)-[(2S)-1-hydroxy-2-{(Z)-[1-hydroxy-2-(4-hydroxy-3-iodo-5-nitrophényl)éthylidène]amino}-4-méthylpentylidène]amino}-4-méthyl-N-[(1E,3S)-5-méthyl-1-(méthylsulfonyl)-1-hexén-3-yl]penta nimidique [French] [ACD/IUPAC Name]
Benzeneethanimidic acid, 4-hydroxy-N-[(1S)-1-[(Z)-hydroxy[[(1S)-1-[(Z)-hydroxy[[(1S)-3-methyl-1-[(E)-2-(methylsulfonyl)ethenyl]butyl]imino]methyl]-3-methylbutyl]imino]methyl]-3-methylbutyl]-3-iodo-5-n itro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 777.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.1±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 168.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1183.06
ACD/KOC (pH 5.5): 3058.27
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 15.10
ACD/KOC (pH 7.4): 39.04
Polar Surface Area: 206 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 494.4±7.0 cm3

Click to predict properties on the Chemicalize site


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