ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one | C35H38N2O5

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one

  • Molecular FormulaC35H38N2O5
  • Average mass566.687 Da
  • Monoisotopic mass566.278076 Da
  • ChemSpider ID65335

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R-(4a,5a,6b,7b))-Hexahydro-5,6-dihydroxy-1,3-bis((4-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxyméthyl)benzyl]-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
(4R,5S,6S,7R)-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[[4-(HYDROXYMETHYL)PHENYL]METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
151867-81-1 [RN]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4A,5A,6SS,7SS)-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS((4-(HYDROXYMETHYL)PHENYL)METHYL)-4,7-BISBENZYL -2H-1,3-DIAZEPIN-2-ONE
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-one
[4-R-(-4-α,5-α,6-β,7-β)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
More...

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

AIDS005340 [DBID]
AIDS-005340 [DBID]
DMP 323 [DBID]
DMP-323 [DBID]
XM 323 [DBID]
XM-323 [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: 798.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 929.79
ACD/KOC (pH 5.5): 4638.44
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 929.79
ACD/KOC (pH 7.4): 4638.43
Polar Surface Area: 104 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 437.6±3.0 cm3

Click to predict properties on the Chemicalize site


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