ChemSpider 2D Image | 3-Amino-18-(phosphonooxy)-17,19,24,25-tetraoxa-2,4,7,9,11-pentaaza-18-phosphapentacyclo[19.2.1.1~12,15~.0~2,6~.0~5,10~]pentacosa-3,5,7,9-tetraene-13,14,22,23-tetrol 18-oxide | C15H22N6O13P2

3-Amino-18-(phosphonooxy)-17,19,24,25-tetraoxa-2,4,7,9,11-pentaaza-18-phosphapentacyclo[19.2.1.112,15.02,6.05,10]pentacosa-3,5,7,9-tetraene-13,14,22,23-tetrol 18-oxide

  • Molecular FormulaC15H22N6O13P2
  • Average mass556.315 Da
  • Monoisotopic mass556.072021 Da
  • ChemSpider ID1837

More details:

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

18-Oxyde de 3-amino-18-(phosphonooxy)-17,19,24,25-tétraoxa-2,4,7,9,11-pentaaza-18-phosphapentacyclo[19.2.1.112,15.02,6.05,10]pentacosa-3,5,7,9-tétraène-13,14,22,23-tétrol [French] [ACD/IUPAC Name]
3-Amino-18-(phosphonooxy)-17,19,24,25-tetraoxa-2,4,7,9,11-pentaaza-18-phosphapentacyclo[19.2.1.112,15.02,6.05,10]pentacosa-3,5,7,9-tetraen-13,14,22,23-tetrol-18-oxid [German] [ACD/IUPAC Name]
3-Amino-18-(phosphonooxy)-17,19,24,25-tetraoxa-2,4,7,9,11-pentaaza-18-phosphapentacyclo[19.2.1.112,15.02,6.05,10]pentacosa-3,5,7,9-tetraene-13,14,22,23-tetrol 18-oxide [ACD/IUPAC Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 982.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 547.8±37.1 °C
Index of Refraction: 2.000
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 2
#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: 303 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 179.9±7.0 dyne/cm
Molar Volume: 209.1±7.0 cm3

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