ChemSpider 2D Image | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione | C14H21N3O4

1-(2,5-dideoxy-5-pyrrolidin-1-yl-β-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

  • Molecular FormulaC14H21N3O4
  • Average mass295.334 Da
  • Monoisotopic mass295.153198 Da
  • ChemSpider ID25058267

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2,5-dideoxy-5-pyrrolidin-1-yl-β-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-[2,5-Dideoxy-5-(1-pyrrolidinyl)-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2,5-Didesoxy-5-(1-pyrrolidinyl)-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2,5-Didésoxy-5-(1-pyrrolidinyl)-β-L-érythro-pentofuranosyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2,5-dideoxy-5-(1-pyrrolidinyl)-β-L-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]
1-[(2S,4R,5S)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
1-[(2S,4R,5S)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]-5-methyl-3H-pyrimidine-2,4-dione
TXS

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 221.6±3.0 cm3

Click to predict properties on the Chemicalize site


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