ChemSpider 2D Image | 1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]di(2,4(1H,3H)-pyrimidinedione) | C18H22N4O16P2

1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]di(2,4(1H,3H)-pyrimidinedione)

  • Molecular FormulaC18H22N4O16P2
  • Average mass612.332 Da
  • Monoisotopic mass612.050598 Da
  • ChemSpider ID168754

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2,9-diyl]di(2,4(1H,3H)-pyrimidindion) [German] [ACD/IUPAC Name]
1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]di(2,4(1H,3H)-pyrimidinedione) [ACD/IUPAC Name]
1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tétrahydroxy-5,12-dioxydooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tétraoxadiphosphacyclododécine-2,9-diyl]di(2,4(1H,3H)-pyrimidinedione) [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1,1'-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-octahydro-3,5,10,12-tetrahydroxy-5,12-dioxido-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2,9-diyl]bis- [ACD/Index Name]
3',3'-Cdump
3'-Uridylic acid, uridylyl-(3'-5')-, cyclic nucleotide
73120-97-5 [RN]
9BJ
Bis(3'-5')cyclic diuridine monophosphate
BIS(3'-5')CYCLIC DIURIDINE MONOPHOSPHONATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 6
#Freely Rotating Bonds: 2
#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: 289 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 113.9±5.0 dyne/cm
Molar Volume: 313.8±5.0 cm3

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