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Search term: InChIKey=SKDHEHNCZUCNQA-BEBLDIKLSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-Methylaminomethyl-2-geranylthiouridine | C21H33N3O5S

5-Methylaminomethyl-2-geranylthiouridine

  • Molecular FormulaC21H33N3O5S
  • Average mass439.569 Da
  • Monoisotopic mass439.214081 Da
  • ChemSpider ID28290379
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]sulfanyl}-5-[(methylamino)methyl]-1-(β-D-ribofuranosyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]sulfanyl}-5-[(methylamino)methyl]-1-(β-D-ribofuranosyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]sulfanyl}-5-[(méthylamino)méthyl]-1-(β-D-ribofuranosyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]thio]-5-[(methylamino)methyl]-1-β-D-ribofuranosyl- [ACD/Index Name]
5-Methylaminomethyl-2-geranylthiouridine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 620.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 329.1±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.29
Polar Surface Area: 140 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 340.3±7.0 cm3

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