ChemSpider 2D Image | 1-{[1,2-Bis(hydroxymethyl)cyclopropyl]methyl}-5-[(E)-2-iodovinyl]-2,4(1H,3H)-pyrimidinedione | C12H15IN2O4

1-{[1,2-Bis(hydroxymethyl)cyclopropyl]methyl}-5-[(E)-2-iodovinyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H15IN2O4
  • Average mass378.163 Da
  • Monoisotopic mass378.007629 Da
  • ChemSpider ID14178828

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{[1,2-bis(hydroxymethyl)cyclopropyl]methyl}-5-[(E)-2-iodoethenyl]pyrimidine-2,4(1H,3H)-dione
1-{[1,2-Bis(hydroxymethyl)cyclopropyl]methyl}-5-[(E)-2-iodovinyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{[1,2-Bis(hydroxyméthyl)cyclopropyl]méthyl}-5-[(E)-2-iodovinyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-{[1,2-Bis(hydroxymethyl)cyclopropyl]methyl}-5-[(E)-2-iodvinyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-[(E)-2-iodoethenyl]- [ACD/Index Name]
3-[(1,2-Bis-hydroxymethyl-cyclopropylmethyl)-amino]-5-(2-iodo-vinyl)-3H-pyridine-2,6-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL430480/

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 90 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 198.5±3.0 cm3

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