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Search term: NDEAHYLKDSBDCS-KBHCAIDQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S)-1,4-Anhydro-5-O-phosphono-1-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol | C10H13N4O7P

(1S)-1,4-Anhydro-5-O-phosphono-1-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol

  • Molecular FormulaC10H13N4O7P
  • Average mass332.207 Da
  • Monoisotopic mass332.052185 Da
  • ChemSpider ID25031232

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-5-O-phosphono-1-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-5-O-phosphono-1-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-5-O-phosphono-1-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-1-C-1H-pyrazolo[4,3-d]pyrimidin-3-yl-, 5-(dihydrogen phosphate), (1S)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 750.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.7±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -5.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 122.1±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


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