ChemSpider 2D Image | (4R,5S,6S,7R)-1,3-Bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol | C33H38N4O3

(4R,5S,6S,7R)-1,3-Bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol

  • Molecular FormulaC33H38N4O3
  • Average mass538.680 Da
  • Monoisotopic mass538.294373 Da
  • ChemSpider ID4449874
  • 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-Bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepan-2,5,6-triol [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol [ACD/IUPAC Name]
(4R,5S,6S,7R)-1,3-Bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazépane-2,5,6-triol [French] [ACD/IUPAC Name]
1H-1,3-Diazepine-2,5,6-triol, 1,3-bis[(3-aminophenyl)methyl]hexahydro-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
[4-R-(-4-α,5-α,6-β,7-β)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
3ON
DINOR-N(ω)-HYDROXY-L-ARGININE
dmp450
DMP450(INHIBITOR OF DUPONT MERCK)
DMQ

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

FEMA No. 2364 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 64.67
ACD/KOC (pH 5.5): 651.57
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.18
ACD/KOC (pH 7.4): 787.72
Polar Surface Area: 119 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

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