ChemSpider 2D Image | Cyclic ADP-ribose | C15H21N5O13P2

Cyclic ADP-ribose

  • Molecular FormulaC15H21N5O13P2
  • Average mass541.300 Da
  • Monoisotopic mass541.061096 Da
  • ChemSpider ID21403087
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4S,5R,13R,14S,15R,16R) 8,10-Dioxyde de 24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tétraaza-8,10-diphosphapentacyclo[,5.113,16.017,21]hexacosa-18,20,22-triène-3,4,8,10,14,15-hexol [French] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-24-Imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[,5.113,16.017,21]hexacosa-18,20,22-trien-3,4,8,10,14,15-hexol-8,10-dioxid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-24-Imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide [ACD/IUPAC Name]
119340-53-3 [RN]
Cyclic Adenosine Diphosphate Ribose
Cyclic adenosine diphosphate-ribose
Cyclic ADP Ribose
Cyclic ADP-ribose [Wiki]
  • Miscellaneous
    • Chemical Class:

      A cyclic purine nucleotide that is synthesised from NAD+ by ADP-ribosyl cyclase; acts as an agonist at ryanodine receptors. ChEBI CHEBI:31445

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

Density: 2.6±0.1 g/cm3
Boiling Point: 934.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 519.1±37.1 °C
Index of Refraction: 1.959
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 279 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 170.2±7.0 dyne/cm
Molar Volume: 210.5±7.0 cm3

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