ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{3-[(1E)-N-hydroxyethanimidoyl]benzyl}-1,3-diazepan-2-one | C37H40N4O5

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{3-[(1E)-N-hydroxyethanimidoyl]benzyl}-1,3-diazepan-2-one

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID7849314

  • Double-bond stereo - Double-bond stereo

    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{3-[(1E)-N-hydroxyethanimidoyl]benzyl}-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{3-[(1E)-N-hydroxyethanimidoyl]benzyl}-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{3-[(1E)-N-hydroxyethanimidoyl]benzyl}-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-[1-(hydroxyimino)ethyl]phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[[3-[(1E)-1-(hydroxyimino)ethyl]phenyl]methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]

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

AIDS059578 [DBID]
AIDS-059578 [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: 849.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.5±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 178.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9901.68
ACD/KOC (pH 5.5): 25218.41
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9899.95
ACD/KOC (pH 7.4): 25214.01
Polar Surface Area: 129 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 500.0±7.0 cm3

Click to predict properties on the Chemicalize site


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