Found 23 results

Search term: MF = 'C_{39}H_{40}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | Methyl N-[({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)carbamoyl]-L-phenylalaninate | C39H40N4O6S2

Methyl N-[({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)carbamoyl]-L-phenylalaninate

  • Molecular FormulaC39H40N4O6S2
  • Average mass724.888 Da
  • Monoisotopic mass724.238953 Da
  • ChemSpider ID5127321

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalanine, N-[[[[4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-[({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)carbamoyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[({4'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)carbamoyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[({4'-[(2S,4R,6S)-4-[4-(Hydroxyméthyl)phényl]-6-{[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-1,3-dioxan-2-yl]-3-biphénylyl}méthyl)carbamoyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

DIOX2_013751 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 199.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33050.93
ACD/KOC (pH 5.5): 59760.66
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33047.70
ACD/KOC (pH 7.4): 59754.82
Polar Surface Area: 185 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 532.3±5.0 cm3

Click to predict properties on the Chemicalize site


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