ChemSpider 2D Image | (2R,3R,4S,5R,13R,14R,15R,16R)-24-Amino-3,4,14-trihydroxy-8,8,10,10-tetraoxido-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18, 20,22-tetraen-15-yl phosphate | C15H19N5O16P3

(2R,3R,4S,5R,13R,14R,15R,16R)-24-Amino-3,4,14-trihydroxy-8,8,10,10-tetraoxido-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18, 20,22-tetraen-15-yl phosphate

  • Molecular FormulaC15H19N5O16P3
  • Average mass618.258 Da
  • Monoisotopic mass618.005615 Da
  • ChemSpider ID30785749

  • 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,14R,15R,16R)-24-Amino-3,4,14-trihydroxy-8,8,10,10-tetraoxido-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18, 20,22-tetraen-15-yl phosphate [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14R,15R,16R)-24-Amino-3,4,14-trihydroxy-8,8,10,10-tetraoxido-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18, 20,22-tetraen-15-ylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-3,4,14-trihydroxy-8,8,10,10-tétraoxydo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexac osa-1(24),18,20,22-tétraén-15-yle [French] [ACD/IUPAC Name]
2'-phospho-cyclic ADP-ribose
2'-phospho-cyclic ADP-ribose(3-)
cADPRP
cyclic adenosine diphosphate ribose phosphate
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of 2'-phospho-cyclic ADP-ribose. ChEBI CHEBI:75970

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 6
#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: 350 Å2
Polarizability:
Surface Tension:
Molar Volume:

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