ChemSpider 2D Image | (2r,3r,4s)-2-(Hydroxymethyl)-1-[(4-Hydroxythieno[3,2-D]pyrimidin-7-Yl)methyl]pyrrolidine-3,4-Diol | C12H15N3O4S

(2r,3r,4s)-2-(Hydroxymethyl)-1-[(4-Hydroxythieno[3,2-D]pyrimidin-7-Yl)methyl]pyrrolidine-3,4-Diol

  • Molecular FormulaC12H15N3O4S
  • Average mass297.330 Da
  • Monoisotopic mass297.078339 Da
  • ChemSpider ID26366100

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2r,3r,4s)-2-(Hydroxymethyl)-1-[(4-Hydroxythieno[3,2-D]pyrimidin-7-Yl)methyl]pyrrolidine-3,4-Diol
7-{[(2R,3R,4S)-3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}thieno[3,2-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
7-{[(2R,3R,4S)-3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}thieno[3,2-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
7-{[(2R,3R,4S)-3,4-Dihydroxy-2-(hydroxyméthyl)-1-pyrrolidinyl]méthyl}thiéno[3,2-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 7-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]- [ACD/Index Name]
MBY

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

Density: 1.8±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.1±31.5 °C
Index of Refraction: 1.820
Molar Refractivity: 71.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.52
Polar Surface Area: 134 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 164.2±7.0 cm3

Click to predict properties on the Chemicalize site


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