ChemSpider 2D Image | 25,26,27,28-Tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid | C24H16O16S8

25,26,27,28-Tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid

  • Molecular FormulaC24H16O16S8
  • Average mass816.894 Da
  • Monoisotopic mass815.820374 Da
  • ChemSpider ID8138505

More details:

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

2,8,14,20-Tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid, 25,26,27,28-tetrahydroxy- [ACD/Index Name]
25,26,27,28-Tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-5,11,17,23-tetrasulfonsäure [German] [ACD/IUPAC Name]
25,26,27,28-Tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid [ACD/IUPAC Name]
Acide 25,26,27,28-tétrahydroxy-2,8,14,20-tétrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-5,11,17,23-tétrasulfonique [French] [ACD/IUPAC Name]
p-Sulfonatothiacalix[4]arene

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.806
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -6.57
ACD/LogD (pH 5.5): -11.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 108.4±3.0 dyne/cm
Molar Volume: 414.9±3.0 cm3

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