ChemSpider 2D Image | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID | C20H24N2O8S5

3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID

  • Molecular FormulaC20H24N2O8S5
  • Average mass580.738 Da
  • Monoisotopic mass580.013611 Da
  • ChemSpider ID394517

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-({[3-({[2-({[5-(Methylsulfonyl)-2-thienyl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-({[3-({[2-({[5-(Methylsulfonyl)-2-thienyl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
Acide (3S)-3-({[3-({[2-({[5-(méthylsulfonyl)-2-thiényl]carbonyl}amino)éthyl]disulfanyl}méthyl)phényl]sulfonyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[[3-[[[2-[[[5-(methylsulfonyl)-2-thienyl]carbonyl]amino]ethyl]dithio]methyl]phenyl]sulfonyl]amino]-4-oxo-, (3S)- [ACD/Index Name]

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

160 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.18
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 391.4±3.0 cm3

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