ChemSpider 2D Image | 2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadiene-1,1-diyl)uridine 5'-(dihydrogen phosphate) | C15H14N5O15P

2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadiene-1,1-diyl)uridine 5'-(dihydrogen phosphate)

  • Molecular FormulaC15H14N5O15P
  • Average mass535.270 Da
  • Monoisotopic mass535.022400 Da
  • ChemSpider ID116901

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadien-1,1-diyl)uridin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadiene-1,1-diyl)uridine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadiène-1,1-diyl)uridine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Uridine, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
[(3Ar,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
141802-28-0 [RN]
2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate
2',3'-O-(2,4,6-Trinitrocyclohexadienylidene)uridine 5'-monophosphate
O-Tnp-ump

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: 1.703
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -5.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 271.1±5.0 cm3

Click to predict properties on the Chemicalize site


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