Found 1 result

Search term: c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,2 9,35-hexayl]hexakis(phosphonic acid) | C42H42O24P6

[37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,2 9,35-hexayl]hexakis(phosphonic acid)

  • Molecular FormulaC42H42O24P6
  • Average mass1116.611 Da
  • Monoisotopic mass1116.049194 Da
  • ChemSpider ID59052324

More details:

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

[37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaen-5,11,17,23,29
 ,35-hexayl]hexakis(phosphonsäure) [German] [ACD/IUPAC Name]
[37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,2
 9,35-hexayl]hexakis(phosphonic acid) [ACD/IUPAC Name]
Acide [37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotétraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadécaène-5,11,1 ;7,23,29,35-hexayl]hexakis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadec
 aene-5,11,17,23,29,35-hexayl]hexakis- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1491.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 240.4±3.0 kJ/mol
Flash Point: 855.9±37.1 °C
Index of Refraction: 1.831
Molar Refractivity: 244.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 18
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -12.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 525 Å2
Polarizability: 96.7±0.5 10-24cm3
Surface Tension: 163.7±5.0 dyne/cm
Molar Volume: 555.1±5.0 cm3

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