ChemSpider 2D Image | (2R,3R,4S,5R,13R,14S,15R,16R)-3,4,14,15-Tetrahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-8,10-diolate 8 ,10-dioxide | C15H19N5O13P2

(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,14,15-Tetrahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-8,10-diolate 8 ,10-dioxide

  • Molecular FormulaC15H19N5O13P2
  • Average mass539.286 Da
  • Monoisotopic mass539.046570 Da
  • ChemSpider ID28639389

  • Charge - Charge

    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 3,4,14,15-tétrahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tétraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-trièn e-8,10-diolate [French] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,14,15-Tetrahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-trien-8,10-diolat-8,1 0-dioxid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,14,15-Tetrahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-8,10-diolate 8 ,10-dioxide [ACD/IUPAC Name]
cADPR(2-)
Cyclic Adenosine Diphosphate Ribose
cyclic adenosine diphosphate ribose dianion
cyclic adenosine diphosphate ribose(2-)
cyclic ADP-D-ribose(2-)
Cyclic ADP-ribose [Wiki]
cyclic ADP-ribose(2-)
More...
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of cyclic ADP-beta-D-ribose. ChEBI CHEBI:73672

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

Density:
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:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
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: 284 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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