Chemical Properties of 1-Caffeoyl quinic acid, TMS

1-Caffeoyl quinic acid, TMS

InChI
InChI=1S/C32H64O9Si6/c1-42(2,3)36-25-20-19-24(21-26(25)37-43(4,5)6)30(33)35-32(31(34)41-47(16,17)18)22-27(38-44(7,8)9)29(40-46(13,14)15)28(23-32)39-45(10,11)12/h19-21,27-29H,22-23H2,1-18H3
InChI Key
ABQAILCNIKFUPS-UHFFFAOYSA-N
Formula
C32H64O9Si6
SMILES
C[Si](C)(C)OC(=O)C1(OC(=O)c2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
Molecular Weight1
761.36
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Physical Properties

Property Value Unit Source
ω 1.1625 Relay (1.0) Calculated Property
ΔfG° -740.44 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -2251.96 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 99.53 kJ/mol Relay (1.0) Calculated Property
IE 8.98 eV Relay (1.0) Calculated Property
log10WS -5.86 Relay (1.0) Calculated Property
logPoct/wat 8.842 Crippen Calculated Property
Inp 3397.00 NIST
Tboil 725.62 K Relay (1.0) Calculated Property
Tc 947.75 K Relay (1.0) Calculated Property
Tfus 323.59 K Relay (1.0) Calculated Property
Vc 2.391 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-Caffeoyl quinic acid, TMS. 5-Hydroxyuracil riboside, TMS. trans-4-O-Caffeoyl-D-quinic acid, hexakis-TMS. Caffeoylquinic acid, 4-trans-, 6TMS. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Tazettine. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine, TMS.

Find more compounds similar to 1-Caffeoyl quinic acid, TMS.

Sources

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