ChemSpider 2D Image | (3R,4S,5R,13R,14S,15R)-24-Imino-7,11,25,26-tetraoxa-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-3,4,8,10,14,15-hexol 8,10-dioxide | C16H23N5O12P2

(3R,4S,5R,13R,14S,15R)-24-Imino-7,11,25,26-tetraoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide

  • Molecular FormulaC16H23N5O12P2
  • Average mass539.328 Da
  • Monoisotopic mass539.081848 Da
  • ChemSpider ID24656482

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3R,4S,5R,13R,14S,15R) 8,10-Dioxyde de 24-imino-7,11,25,26-tétraoxa-1,17,19,22-tétraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triène-3,4,8,10,14,15-hexol [French] [ACD/IUPAC Name]
(3R,4S,5R,13R,14S,15R)-24-Imino-7,11,25,26-tetraoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-trien-3,4,8,10,14,15-hexol-8,10-dioxid [German] [ACD/IUPAC Name]
(3R,4S,5R,13R,14S,15R)-24-Imino-7,11,25,26-tetraoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 965.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.2±3.0 kJ/mol
Flash Point: 537.4±37.1 °C
Index of Refraction: 1.940
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 17
#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: 269 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 157.5±7.0 dyne/cm
Molar Volume: 220.1±7.0 cm3

Click to predict properties on the Chemicalize site


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