ChemSpider 2D Image | entanoic acid | C28H45F6N5O9

entanoic acid

  • Molecular FormulaC28H45F6N5O9
  • Average mass709.675 Da
  • Monoisotopic mass709.312134 Da
  • ChemSpider ID402022

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4R)-5,5,5-Trifluoro-3-hydroxy-4-[(S)-2-((3S,4R)-5,5,5-trifluoro-3-hydroxy-4-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-methyl-butanoylamino)-butanoylamino]-butanoylamino}-pentanoylamino)-propanoylamino]-p
(6S,9S,12R,13S,17S,20R,21S)-13,21-Dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluormethyl)-5,8,11,16,19-pentaazatricosan-23-säure [German] [ACD/IUPAC Name]
(6S,9S,12R,13S,17S,20R,21S)-13,21-Dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oic acid [ACD/IUPAC Name]
5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID
Acide (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-6,9-diisopropyl-2,17-diméthyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluorométhyl)-5,8,11,16,19-pentaazatricosan-23-oïque [French] [ACD/IUPAC Name]
entanoic acid
(3S,4R)-5,5,5-Trifluoro-3-hydroxy-4-[(S)-2-((3S,4R)-5,5,5-trifluoro-3-hydroxy-4-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-methyl-butanoylamino)-butanoylamino]-butanoylamino}-pentanoylamino)-propanoylamino]-pentanoic acid
4-[(2S)-2-(4-{(2S)-2-[(2S)-3-Methyl-2-(3-methylbutanoylamino)butanoylamino]-3-methylbutanoylamino}(3S,4R)-5,5,5-trifluoro-3-hydroxypentanoylamino)propanoylamino](3S,4R)-5,5,5-trifluoro-3-hydroxypentanoic acid
5FP
Pepstatin analog

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

AIDS008714 [DBID]
AIDS-008714 [DBID]
AIDS094301 [DBID]
AIDS-094301 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1006.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.3±6.0 kJ/mol
Flash Point: 562.2±34.3 °C
Index of Refraction: 1.479
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.79
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 546.6±3.0 cm3

Click to predict properties on the Chemicalize site


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