ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(5-hydroxypentyl)-1,3-diazepan-2-one | C31H38N2O5

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

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID2278627

  • 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-hydroxybenzyl)-3-(5-hydroxypentyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(5-hydroxypentyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(5-hydroxypentyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxy-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one
167824-58-0 [RN]
2H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-((3-hydroxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
2H-1,3-Dazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
2H-1,3-DAZEPIN-2-ONE,HEXAHYDRO-5,6-DIHYDROXY-1-(5-HYDROXYPENTYL)-3-[(3-HYDROXYPHENYL)METHYL]-4,7-BIS(PHENYLMETHYL)-,(4R,5S,6S,7R)-
2H-1,3-Diazepin-2-one,hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-,[4R-(4a,5a,6b,7b)]- (9CI)

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

AIDS210464 [DBID]
AIDS-210464 [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: 739.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.92
ACD/KOC (pH 5.5): 3442.09
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.80
ACD/KOC (pH 7.4): 3430.18
Polar Surface Area: 104 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 414.7±3.0 cm3

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