ChemSpider 2D Image | {4-[(2R,4S,6R)-2-[4-(Aminomethyl)phenyl]-6-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-1,3-dioxan-4-yl]phenyl}methanol | C34H32N2O4S

{4-[(2R,4S,6R)-2-[4-(Aminomethyl)phenyl]-6-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-1,3-dioxan-4-yl]phenyl}methanol

  • Molecular FormulaC34H32N2O4S
  • Average mass564.694 Da
  • Monoisotopic mass564.208252 Da
  • ChemSpider ID5136075

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{4-[(2R,4S,6R)-2-[4-(Aminomethyl)phenyl]-6-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-1,3-dioxan-4-yl]phenyl}methanol [German] [ACD/IUPAC Name]
{4-[(2R,4S,6R)-2-[4-(Aminomethyl)phenyl]-6-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-1,3-dioxan-4-yl]phenyl}methanol [ACD/IUPAC Name]
{4-[(2R,4S,6R)-2-[4-(Aminométhyl)phényl]-6-{[(4,5-diphényl-1,3-oxazol-2-yl)sulfanyl]méthyl}-1,3-dioxan-4-yl]phényl}méthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-1,3-dioxan-4-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242738/
URETUPAMINE B

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

DIOX2_022909 [DBID]
DIOX3_000472 [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: 760.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 5.08
ACD/KOC (pH 5.5): 15.43
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 70.17
ACD/KOC (pH 7.4): 212.96
Polar Surface Area: 116 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 424.1±5.0 cm3

Click to predict properties on the Chemicalize site


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