Found 1 result

Search term: OP(O)(=O)Cc1c2[C@H]3C[C@H](c4cc5[C@@H]6C[C@@H](c7ccccc67)c5cc34)c2c(CP(O)(O)=O)c2[C@H]3C[C@H](c4cc5[C@@H]6C[C@@H](c7ccccc67)c5cc34)c12 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-Octahydro-5,22:7,20:9,18:11,16-Tetramethanononacen-8,19-Bisphosphate | C44H36O6P2

Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-Octahydro-5,22:7,20:9,18:11,16-Tetramethanononacen-8,19-Bisphosphate

  • Molecular FormulaC44H36O6P2
  • Average mass722.701 Da
  • Monoisotopic mass722.198730 Da
  • ChemSpider ID35033564
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(1R,5S,9S,16R,20R,24S,28S,35R)-Tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,
 29,31,33,36-pentadecaen-3,22-diyldimethylen]bis(phosphonsäure) [German] [ACD/IUPAC Name]
[(1R,5S,9S,16R,20R,24S,28S,35R)-Tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,
 29,31,33,36-pentadecaene-3,22-diylbis(methylene)]bis(phosphonic acid) [ACD/IUPAC Name]
Acide [(1R,5S,9S,16R,20R,24S,28S,35R)-tridécacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotétraconta-2(23),3,6(19),7,10,12,14,17,21,25(3 
8),26,29,31,33,36-pentadécaène-3,22-diyldiméthylène]bis(phosphonique) [French] [ACD/IUPAC Name]
Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-Octahydro-5,22:7,20:9,18:11,16-Tetramethanononacen-8,19-Bisphosphate
19O

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.788
Molar Refractivity: 195.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 462.0±3.0 cm3

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