Found 1 result

Search term: O[C@@H]1[C@@H]2C[C@H]([C@@H]1O)n1cnc3n(cnc3c1=N)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC2)[C@@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (2R,3S,4R,5R,8S,10S,13R,14S,15R,16R)-24-Imino-7,9,11,25-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

(2R,3S,4R,5R,8S,10S,13R,14S,15R,16R)-24-Imino-7,9,11,25-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 ID35035798
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2R,3S,4R,5R,8S,10S,13R,14S,15R,16R) 8,10-Dioxyde de 24-imino-7,9,11,25-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-he xol [French] [ACD/IUPAC Name]
(2R,3S,4R,5R,8S,10S,13R,14S,15R,16R)-24-Imino-7,9,11,25-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]
(2R,3S,4R,5R,8S,10S,13R,14S,15R,16R)-24-Imino-7,9,11,25-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

Density: 2.5±0.1 g/cm3
Boiling Point: 891.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 493.1±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





Feedback Form