ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-1,3-diazepan-2-one | C37H36N4O3

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-1,3-diazepan-2-one

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID409229

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylméthyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(1H-indol-5-ylmethyl)-[1,3]diazepan-2-one
(5S,6S,4R,7R)-1,3-Bis[(1H-indol-5-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepin-2-one

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

AIDS044842 [DBID]
AIDS-044842 [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: 853.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 470.2±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14501.76
ACD/KOC (pH 5.5): 33138.50
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14501.76
ACD/KOC (pH 7.4): 33138.50
Polar Surface Area: 96 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 434.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement