ChemSpider 2D Image | (2R,3R,3aR,9aR)-2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate | C9H12N3O7P

(2R,3R,3aR,9aR)-2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate

  • Molecular FormulaC9H12N3O7P
  • Average mass305.181 Da
  • Monoisotopic mass305.041290 Da
  • ChemSpider ID34228177
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3R,3aR,9aR)-2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3R,3aR,9aR)-2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-6-imino-3-(phosphonooxy)-, (2R,3R,3aR,9aR)- [ACD/Index Name]
Dihydrogénophosphate de (2R,3R,3aR,9aR)-2-(hydroxyméthyl)-6-imino-2,3,3a,9a-tétrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yle [French] [ACD/IUPAC Name]
2-(HYDROXYMETHYL)-6-IMINO-2,3,3A,9A-TETRAHYDRO-6H-FURO[2',3':4,5][1,3]OXAZOLO[3,2-A]PYRIMIDIN-3-YL DIHYDROGEN PHOSPHONATE; {6H-FURO[2',3',4,5]OXAZOLO[3,2-A]PYRIMIDINE-2-METHANOL,} 6-IMINO-2, 3,3A,9A-TETRAHYDRO-3-HYDROXY-, 3-(DIHYDROGEN PHOSPHONATE); {6H-F
25878-33-5 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 554.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 288.9±32.9 °C
Index of Refraction: 1.853
Molar Refractivity: 59.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -5.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 130.7±7.0 dyne/cm
Molar Volume: 133.4±7.0 cm3

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