ChemSpider 2D Image | 6-Acetamido-N-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl]-2-biphenylyl}methyl)hexanamide | C40H44N6O6S

6-Acetamido-N-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl]-2-biphenylyl}methyl)hexanamide

  • Molecular FormulaC40H44N6O6S
  • Average mass736.879 Da
  • Monoisotopic mass736.304321 Da
  • ChemSpider ID5129868

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-Acetamido-N-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl]-2-biphenylyl}methyl)hexanamid [German] [ACD/IUPAC Name]
6-Acetamido-N-({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl]-2-biphenylyl}methyl)hexanamide [ACD/IUPAC Name]
6-Acétamido-N-({4'-[(2S,4R,6S)-4-[4-(hydroxyméthyl)phényl]-6-({[1-(4-hydroxyphényl)-1H-tétrazol-5-yl]sulfanyl}méthyl)-1,3-dioxan-2-yl]-2-biphénylyl}méthyl)hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 6-(acetylamino)-N-[[4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-2-yl]methyl]- [ACD/Index Name]

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

DIOX2_016416 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 204.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 837.78
ACD/KOC (pH 5.5): 4300.85
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 767.58
ACD/KOC (pH 7.4): 3940.47
Polar Surface Area: 186 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 553.7±7.0 cm3

Click to predict properties on the Chemicalize site


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