Chemical Properties of 4-Caffeoyl quinic acid, TMS

4-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)35-29-27(38-44(7,8)9)22-32(41-47(16,17)18,31(34)40-46(13,14)15)23-28(29)39-45(10,11)12/h19-21,27-29H,22-23H2,1-18H3
InChI Key
AJOSHXXJFGXQEX-UHFFFAOYSA-N
Formula
C32H64O9Si6
SMILES
C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)CC(O[Si](C)(C)C)C(OC(=O)c2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)C(O[Si](C)(C)C)C1
Molecular Weight1
761.36
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Physical Properties

Property Value Unit Source
ω 1.1600 Relay (1.0) Calculated Property
ΔfG° -740.54 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -2260.25 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.65 kJ/mol Relay (1.0) Calculated Property
IE 9.14 eV Relay (1.0) Calculated Property
log10WS -5.71 Relay (1.0) Calculated Property
logPoct/wat 8.842 Crippen Calculated Property
Inp 3168.30 NIST
Tboil 726.48 K Relay (1.0) Calculated Property
Tc 939.76 K Relay (1.0) Calculated Property
Tfus 325.66 K Relay (1.0) Calculated Property
Vc 2.397 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

Find more compounds similar to 4-Caffeoyl quinic acid, TMS.

Sources

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