ChemSpider 2D Image | (1R,10Z,12R,13R,14S,15R,23R,24S,25R)-17,19,21,26,27-Pentaoxa-2,4,7,9,11-pentaaza-18,20-diphosphapentacyclo[21.2.1.1~12,15~.0~2,6~.0~5,10~]heptacosa-3,5,7,10-tetraene-13,14,18,20,24,25-hexol 18,20-diox ide | C15H21N5O13P2

(1R,10Z,12R,13R,14S,15R,23R,24S,25R)-17,19,21,26,27-Pentaoxa-2,4,7,9,11-pentaaza-18,20-diphosphapentacyclo[21.2.1.112,15.02,6.05,10]heptacosa-3,5,7,10-tetraene-13,14,18,20,24,25-hexol 18,20-diox ide

  • Molecular FormulaC15H21N5O13P2
  • Average mass541.300 Da
  • Monoisotopic mass541.061096 Da
  • ChemSpider ID29361896

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,10Z,12R,13R,14S,15R,23R,24S,25R) 18,20-Dioxyde de -17,19,21,26,27-pentaoxa-2,4,7,9,11-pentaaza-18,20-diphosphapentacyclo[21.2.1.112,15.02,6.05,10]heptacosa-3,5,7,10-tétraène-13,14,18,20,24,2 5-hexol [French] [ACD/IUPAC Name]
(1R,10Z,12R,13R,14S,15R,23R,24S,25R)-17,19,21,26,27-Pentaoxa-2,4,7,9,11-pentaaza-18,20-diphosphapentacyclo[21.2.1.112,15.02,6.05,10]heptacosa-3,5,7,10-tetraen-13,14,18,20,24,25-hexol-18,20-dioxi d [German] [ACD/IUPAC Name]
(1R,10Z,12R,13R,14S,15R,23R,24S,25R)-17,19,21,26,27-Pentaoxa-2,4,7,9,11-pentaaza-18,20-diphosphapentacyclo[21.2.1.112,15.02,6.05,10]heptacosa-3,5,7,10-tetraene-13,14,18,20,24,25-hexol 18,20-diox ide [ACD/IUPAC Name]
119340-53-3 [RN]
Adenosine5'-(trihydrogen diphosphate), 1-b-D-ribofuranosyl-, intramol. P',5''-ester
Adenosine5'-(trihydrogen diphosphate),1-b-D-ribofuranosyl-,intramol. p',5''-ester
cADP-Ribose

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

Density: 2.5±0.1 g/cm3
Boiling Point: 931.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 516.9±37.1 °C
Index of Refraction: 1.950
Molar Refractivity: 102.6±0.5 cm3
#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: 277 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 162.8±7.0 dyne/cm
Molar Volume: 212.3±7.0 cm3

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