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编号: 141868
• 分子式: Al10La3O51Sr14Ta7
• 平均质量: 3995.81658
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 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传统名: 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
• 别名: 氧化铝镧-氧化锶铝钽; Lanthanum aluminum oxide-strontium aluminum tantalum oxide; LSAT

登记号

• MDL号: MFCD06200704

理论计算性质

• 质子受体: 50
• 质子供体: 0
• LogD (pH = 5.5): 11.5086
• LogD (pH = 7.4): 11.5086
• Log P: 11.5086
• 摩尔折射率: 68.9529 cm^3
• 极化性: 192.8273 Å^3
• 极化表面积: 478.57 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 1840 °C(lit.)
• 密度: 6.74 g/mL at 25 °C(lit.)
• 介电常数: ~22
• 半导体性质: <100>

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.9% trace metals basis
• 简要说明: single side polished
• 尺寸: 10 mm × 10 mm × 0.5 mm
• 线性分子式: (LaAlO3)3(Sr2AlTaO6)7

详细说明

Sigma Aldrich - 635050

包装
1 ea in rigid mailer
Physical form
立方体（边长 = 3.868Å）
Physical properties
热膨胀 = 10×10-6/°C