ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-naphthylmethyl)-1,3-diazepan-2-one | C41H38N2O3

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

  • Molecular FormulaC41H38N2O3
  • Average mass606.752 Da
  • Monoisotopic mass606.288269 Da
  • ChemSpider ID393585

  • 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(2-naphthylmethyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-naphthylmethyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-naphtylméthyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
[4R-(4α,5α,6β,7β)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R-(4α,5α,6β,7β))-Hexahydro-1,3-bis(2-naphthylmethyl)-2H-5,6-dihydroxy-4,7-dibenzyl-2H-1,3-diazepin-2-one
[4R-(4α,5α,6β,7β)]-Hexahydro-1,3-bis(2-naphthylmethyl)-2H-5,6-dihydroxy-4,7-dibenzyl-2H-1,3-diazepin-2-one
153244-86-1 [RN]
2H-1,3-DIAZEPIN-2-ONE,HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS(2-NAPHTHALENYLMETHYL)-4,7-BIS(PHENYLMETHYL)-,(4R,5S,6S,7R)-
Cu [Formula]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS005339 [DBID]
AIDS-005339 [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: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.16
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 368152.81
ACD/KOC (pH 5.5): 335533.47
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 368152.81
ACD/KOC (pH 7.4): 335533.47
Polar Surface Area: 64 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 478.2±3.0 cm3

Click to predict properties on the Chemicalize site


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