Chemical Properties of Xanthurenic acid, O,O'-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester

Xanthurenic acid, O,O'-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester

InChI
InChI=1S/C28H49NO4Si3/c1-26(2,3)34(10,11)31-22-18-16-17-20-23(32-35(12,13)27(4,5)6)19-21(29-24(20)22)25(30)33-36(14,15)28(7,8)9/h16-19H,1-15H3
InChI Key
IRJIRIHKMGRQPY-UHFFFAOYSA-N
Formula
C28H49NO4Si3
SMILES
CC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2cccc(O[Si](C)(C)C(C)(C)C)c2n1
Molecular Weight1
547.95
Other Names
  • Xanthurenic acid, triTBDMS
  • Xanthurenic acid, O,O'-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
  • Xanthurenic acid, 3tbdms derivative
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Physical Properties

Property Value Unit Source
ω 0.9616 Relay (1.0) Calculated Property
ΔfG° -112.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1097.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 94.51 kJ/mol Relay (1.0) Calculated Property
IE 8.09 eV Relay (1.0) Calculated Property
log10WS -6.51 Relay (1.0) Calculated Property
logPoct/wat 9.165 Crippen Calculated Property
Pc 583.49 kPa Relay (1.0-beta) Calculated Property
Inp 3004.00 NIST
Tboil 692.23 K Relay (1.0) Calculated Property
Tc 997.11 K Relay (1.0) Calculated Property
Tfus 411.72 K Relay (1.0) Calculated Property
Vc 1.775 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Kynurenic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester. 2-Quinolinecarboxylic acid, 4,8-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester. Zinc octaethylporphyrin chloride. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Nalmefene, bis(trifluoroacetate). Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. AJMALINE, M(DIHYDRO-), AC. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Xanthurenic acid, O,O'-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester.

Sources

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