ChemSpider 2D Image | (2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-4-hydroxy-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8b-diaza-8-azoniaacenaphthylene | C15H22N5O4

(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-4-hydroxy-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8b-diaza-8-azoniaacenaphthylene

  • Molecular FormulaC15H22N5O4
  • Average mass336.366 Da
  • Monoisotopic mass336.166626 Da
  • ChemSpider ID77410445

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-4-hydroxy-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8b-diaza-8-azoniaacenaphthylen [German] [ACD/IUPAC Name]
(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)(hydroxy)methyl]-4-hydroxy-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8b-diaza-8-azoniaacenaphthylene [ACD/IUPAC Name]
(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)(hydroxy)méthyl]-4-hydroxy-3-méthyl-2,2a,3,4,5,5a,6,7-octahydro-1H-1,8b-diaza-8-azoniaacénaphtylène [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 6-[(R)-hydroxy[(2aS,3R,4S,5aS,7R)-2,2a,3,4,5,5a,6,7-octahydro-4-hydroxy-3-methyl-1H-1,8,8b-triazaacenaphthylen-7-yl]methyl]-, conjugate monoacid [ACD/Index Name]

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: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement