Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | 1-Adamantan-1-yl-3-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-({methyl[(1S)-1-phenylethyl]amino}methyl)-1,3-dioxan-2-yl]benzyl}urea | C40H51N3O4

1-Adamantan-1-yl-3-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-({methyl[(1S)-1-phenylethyl]amino}methyl)-1,3-dioxan-2-yl]benzyl}urea

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID5116021

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

1-Adamantan-1-yl-3-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-({methyl[(1S)-1-phenylethyl]amino}methyl)-1,3-dioxan-2-yl]benzyl}harnstoff [German] [ACD/IUPAC Name]
1-Adamantan-1-yl-3-{4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-({methyl[(1S)-1-phenylethyl]amino}methyl)-1,3-dioxan-2-yl]benzyl}urea [ACD/IUPAC Name]
1-Adamantan-1-yl-3-{4-[(2S,4R,5R,6S)-4-[4-(hydroxyméthyl)phényl]-5-méthyl-6-({méthyl[(1S)-1-phényléthyl]amino}méthyl)-1,3-dioxan-2-yl]benzyl}urée [French] [ACD/IUPAC Name]
Urea, N-[[4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl[(1S)-1-phenylethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-N'-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

DIOX2_002345 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 802.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 186.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 368.28
ACD/KOC (pH 5.5): 551.78
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 18201.99
ACD/KOC (pH 7.4): 27271.23
Polar Surface Area: 83 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 521.7±5.0 cm3

Click to predict properties on the Chemicalize site


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