ChemSpider 2D Image | aha001 | C33H34N2O5

aha001

  • Molecular FormulaC33H34N2O5
  • Average mass538.633 Da
  • Monoisotopic mass538.246765 Da
  • ChemSpider ID392264
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Dibenzyl-5,6-dihydroxy-4,7-bis(phénoxyméthyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
aha001
(4R,5S, 6S, 7R)-1,3-DIBENZYL-4,7-BIS(PHENOXYMETHYL)-5,6-DIHYDROXY-1,3 DIAZEPAN-2-ONE
(4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One
AB3
AH1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS072209 [DBID]
AIDS-072209 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3052.08
ACD/KOC (pH 5.5): 10860.96
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3052.08
ACD/KOC (pH 7.4): 10860.96
Polar Surface Area: 82 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 432.3±3.0 cm3

Click to predict properties on the Chemicalize site






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