ChemSpider 2D Image | (2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-Hexahydroxy-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-trien-24-one 8,10-dioxide | C15H20N4O14P2

(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-Hexahydroxy-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-24-one 8,10-dioxide

  • Molecular FormulaC15H20N4O14P2
  • Average mass542.285 Da
  • Monoisotopic mass542.045105 Da
  • ChemSpider ID8228629

  • 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 3,4,8,10,14,15-hexahydroxy-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-trién-24-o ;ne [French] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-Hexahydroxy-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-24-on-8,10-dioxid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-Hexahydroxy-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-24-one 8,10-dioxide [ACD/IUPAC Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 965.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 537.7±37.1 °C
Index of Refraction: 1.942
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#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: 272 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 167.2±7.0 dyne/cm
Molar Volume: 211.0±7.0 cm3

Click to predict properties on the Chemicalize site


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