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Search term: NKQVRMXGIOZKRJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(beta-D-Glucopyranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione | C10H13IN2O7

1-(β-D-Glucopyranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H13IN2O7
  • Average mass400.124 Da
  • Monoisotopic mass399.976746 Da
  • ChemSpider ID28511528

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-(β-D-Glucopyranosyl)-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-Iodopyrimidine-2,4(1h,3h)-Dione
2,4(1H,3H)-Pyrimidinedione, 1-β-D-glucopyranosyl-5-iodo- [ACD/Index Name]
GPV

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.753
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.70
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.43
Polar Surface Area: 140 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 110.2±5.0 dyne/cm
Molar Volume: 177.2±5.0 cm3

Click to predict properties on the Chemicalize site


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