ChemSpider 2D Image | (5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-3-oxo-4,5,6,7-tetrahydro-3H-1,2,4-triazepine-1,2-diium | C36H39N3O8

(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-3-oxo-4,5,6,7-tetrahydro-3H-1,2,4-triazepine-1,2-diium

  • Molecular FormulaC36H39N3O8
  • Average mass641.709 Da
  • Monoisotopic mass641.272644 Da
  • ChemSpider ID4484267

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-3-oxo-4,5,6,7-tetrahydro-3H-1,2,4-triazepin-1,2-diium [German] [ACD/IUPAC Name]
(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-3-oxo-4,5,6,7-tetrahydro-3H-1,2,4-triazepine-1,2-diium [ACD/IUPAC Name]
(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-méthoxybenzyl)-1-[3-(4-hydroxyphényl)propanoyl]-3-oxo-4,5,6,7-tétrahydro-3H-1,2,4-triazépine-1,2-diium [French] [ACD/IUPAC Name]
3H-1,2,4-Triazepinium, 4,5,6,7-tetrahydro-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1-[3-(4-hydroxyphenyl)-1-oxopropyl]-3-oxo-5-(phenylmethyl)-, (5R,6R)- [ACD/Index Name]
AAU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 143 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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