ChemSpider 2D Image | 5-iodo-5,6-dihydro-6-azatubercidin | C10H14IN5O4

5-iodo-5,6-dihydro-6-azatubercidin

  • Molecular FormulaC10H14IN5O4
  • Average mass395.154 Da
  • Monoisotopic mass395.009033 Da
  • ChemSpider ID16744184

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R)-3-Iod-1-(β-D-ribofuranosyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
(3R)-3-Iodo-1-(β-D-ribofuranosyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
5-iodo-5,6-dihydro-6-azatubercidin
(3R)-3-iodo-1-(β-D-ribofuranosyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
(3R)-3-iodo-1-β-D-ribofuranosyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1H-pyrazolo[3,4-d]pyrimidin-4-amine, 2,3-dihydro-3-iodo-1-β-D-ribofuranosyl-, (3R)- [ACD/Index Name]
2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
7-iodo-7,8-dihydro-8-aza-7-deazaadenosine

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

PH7 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 604.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.819
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.44
Polar Surface Area: 137 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 130.9±5.0 dyne/cm
Molar Volume: 175.6±5.0 cm3

Click to predict properties on the Chemicalize site


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