ChemSpider 2D Image | (2S,2'S)-N,N'-[(2S,4S)-3-Hydroxy-1,5-diphenyl-2,4-pentanediyl]bis(2-acetamido-3-methylbutanamide) | C31H44N4O5

(2S,2'S)-N,N'-[(2S,4S)-3-Hydroxy-1,5-diphenyl-2,4-pentanediyl]bis(2-acetamido-3-methylbutanamide)

  • Molecular FormulaC31H44N4O5
  • Average mass552.705 Da
  • Monoisotopic mass552.331177 Da
  • ChemSpider ID398519

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S)-N,N'-[(2S,4S)-3-Hydroxy-1,5-diphenyl-2,4-pentandiyl]bis(2-acetamido-3-methylbutanamid) [German] [ACD/IUPAC Name]
(2S,2'S)-N,N'-[(2S,4S)-3-Hydroxy-1,5-diphenyl-2,4-pentanediyl]bis(2-acetamido-3-methylbutanamide) [ACD/IUPAC Name]
(2S,2'S)-N,N'-[(2S,4S)-3-Hydroxy-1,5-diphényl-2,4-pentanediyl]bis(2-acétamido-3-méthylbutanamide) [French] [ACD/IUPAC Name]
L-threo-Pentitol, 2,4-bis[[(2S)-2-(acetylamino)-3-methyl-1-oxobutyl]amino]-1,2,4,5-tetradeoxy-1,5-diphenyl- [ACD/Index Name]
(2S)-2-ACETAMIDO-N-[(2S,4S)-4-[(2S)-2-ACETAMIDO-3-METHYLBUTANAMIDO]-3-HYDROXY-1,5-DIPHENYLPENTAN-2-YL]-3-METHYLBUTANAMIDE
129491-40-3 [RN]
2,4(AcValNH)-1,5-diPh-3-pentanol
2,4-bis(Acetylvalylamino)-1,5-diphenyl-3-pentanol
L-Arabinitol, 2,4-bis((2-(acetylamino)-3-methyl-1-oxobutyl)amino)-1,2,4,5-tetradeoxy-1,5-diphenyl-, (2(S),4(S))-
L-Arabinitol, 2,4-bis[[2-(acetylamino)-3-methyl-1-oxobutyl]amino]-1,2,4,5-tetradeoxy-1,5-diphenyl-, [2(S),4(S)]-

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

AIDS001827 [DBID]
AIDS-001827 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 892.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.4±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.72
ACD/KOC (pH 5.5): 561.53
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.72
ACD/KOC (pH 7.4): 561.52
Polar Surface Area: 137 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 487.5±3.0 cm3

Click to predict properties on the Chemicalize site


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