Found 282 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}'
ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one | C35H38N2O5

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

  • Molecular FormulaC35H38N2O5
  • Average mass566.687 Da
  • Monoisotopic mass566.278076 Da
  • ChemSpider ID407540

  • 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-methoxybenzyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(2-méthoxybenzyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[(2-methoxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(2-methoxy-benzyl)-[1,3]diazepan-2-one
153182-53-7 [RN]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((2-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
2H-1,3-DIAZEPIN-2-ONE,HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[(2-METHOXYPHENYL)METHYL]-4,7-BIS(PHENYLMETHYL)-,(4R,5S,6S,7R)-
Cyclic Urea 51
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312890/

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

AIDS033366 [DBID]
AIDS-033366 [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: 732.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 163.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8617.92
ACD/KOC (pH 5.5): 22832.40
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8617.92
ACD/KOC (pH 7.4): 22832.40
Polar Surface Area: 82 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 458.0±3.0 cm3

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