45-oxo-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,67,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84-pentacontaoxa-5,9,21,25,37,41,49,55,59,63-decaalumina-1,13,17,29,33,45,53-heptatantala-57,61,65-trilanthana-3,7,11,15,19,23,27,31,35,39,43,47,51,68-tetradecastrontaheptadecacyclo[51.13.3.11,5.11,53.19,13.113,17.113,63.117,21.117,61.125,29.129,33.129,59.133,37.133,57.141,45.149,53.155,65]tetraoctacontane

• ChemBase ID: 141868
• Molecular Formular: Al10La3O51Sr14Ta7
• Molecular Mass: 3995.81658
• Monoisotopic Mass: 3999.58962392
• SMILES: O=[Ta]12O[Al](O[Sr]O[Al]3O[Sr]O[Ta]45(O3)O[Sr]O[Ta]36(O4)O[Al](O[Sr]O[Al]4O[Sr]O[Ta]78(O4)O[Sr]O[Ta]49(O7)O[Al](O[Sr]O[Al]7O[Sr]O[Ta]%10%11(O7)O[Sr]O[Ta]7(O%10)(O[Al](O[Sr]O1)O[Sr]O7)O[Al]1O[La](O5)O[Al](O3)O[La](O8)O[Al](O4)O[La](O1)O%11)O[Sr]O9)O[Sr]O6)O[Sr]O2
• Canonical SMILES: O=[Ta]12O[Sr]O[Al]3O[Sr]O[Ta]45(O3)O[Sr]O[Ta]36(O5)O[Sr]O[Al](O3)O[Sr]O[Al]3O[Ta]57(O[Al]8O[La](O[Al](O4)O[La]4O[Ta]9%10(O[Al](O[Sr]O[Al](O2)O[Sr]O1)O[Sr]O9)O[Sr]O[Ta]12(O%10)O[Sr]O[Al](O2)O[Sr]O[Al]2O[Ta](O[La](O8)O[Al](O4)O1)(O7)(O[Sr]O5)O[Sr]O2)O6)O[Sr]O3
• InChI: InChI=1S/10Al.3La.51O.14Sr.7Ta
• InChIKey: YSEGFJHLRWDERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 45-oxo-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,67,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84-pentacontaoxa-5,9,21,25,37,41,49,55,59,63-decaalumina-1,13,17,29,33,45,53-heptatantala-57,61,65-trilanthana-3,7,11,15,19,23,27,31,35,39,43,47,51,68-tetradecastrontaheptadecacyclo[51.13.3.1^1,^5.1^1,^5^3.1^9,^1^3.1^1^3,^1^7.1^1^3,^6^3.1^1^7,^2^1.1^1^7,^6^1.1^2^5,^2^9.1^2^9,^3^3.1^2^9,^5^9.1^3^3,^3^7.1^3^3,^5^7.1^4^1,^4^5.1^4^9,^5^3.1^5^5,^6^5]tetraoctacontane
• IUPAC Traditional name: 45-oxo-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,67,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84-pentacontaoxa-5,9,21,25,37,41,49,55,59,63-decaalumina-1,13,17,29,33,45,53-heptatantala-57,61,65-trilanthana-3,7,11,15,19,23,27,31,35,39,43,47,51,68-tetradecastrontaheptadecacyclo[51.13.3.1^1,^5.1^1,^5^3.1^9,^1^3.1^1^3,^1^7.1^1^3,^6^3.1^1^7,^2^1.1^1^7,^6^1.1^2^5,^2^9.1^2^9,^3^3.1^2^9,^5^9.1^3^3,^3^7.1^3^3,^5^7.1^4^1,^4^5.1^4^9,^5^3.1^5^5,^6^5]tetraoctacontane
• Synonyms: Lanthanum aluminum oxide-strontium aluminum tantalum oxide; LSAT; 氧化铝镧-氧化锶铝钽

Database IDs

• MDL Number: MFCD06200704

CALCULATED PROPERTIES

• H Acceptors: 50
• H Donor: 0
• LogD (pH = 5.5): 11.5086
• LogD (pH = 7.4): 11.5086
• Log P: 11.5086
• Molar Refractivity: 68.9529 cm^3
• Polarizability: 192.8273 Å^3
• Polar Surface Area: 478.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 1840 °C(lit.)
• Density: 6.74 g/mL at 25 °C(lit.)
• Dielectric Constant: ~22
• Semiconductor Properties: <100>

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.9% trace metals basis
• Description: single side polished
• Size: 10 mm × 10 mm × 0.5 mm
• Linear Formula: (LaAlO3)3(Sr2AlTaO6)7

DETAILS

Sigma Aldrich - 635050

Packaging
1 ea in rigid mailer
Physical form
cubic (a = 3.868 Å)
Physical properties
Thermal expansion = 10 × 10 -6/°C