Chemical Properties of 3-O-Coumaroyl-D-quinic acid, 5TMS (CAS 179465-94-2)

3-O-Coumaroyl-D-quinic acid, 5TMS

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InChI
InChI=1S/C31H58O8Si5/c1-40(2,3)35-25-19-16-24(17-20-25)18-21-28(32)34-26-22-31(39-44(13,14)15,30(33)38-43(10,11)12)23-27(36-41(4,5)6)29(26)37-42(7,8)9/h16-21,26-27,29H,22-23H2,1-15H3/b21-18+
InChI Key
NJXINYMXFRUJJM-DYTRJAOYSA-N
Formula
C31H58O8Si5
SMILES
C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)CC(OC(=O)C=Cc2ccc(O[Si](C)(C)C)cc2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
Molecular Weight1
699.21
CAS
179465-94-2
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Physical Properties

Property Value Unit Source
log10WS 2.79 Crippen Calculated Property
logPoct/wat 8.028 Crippen Calculated Property
Inp [2962.10; 3048.00]   Show Hide
Inp 3048.00 NIST
Inp 2962.10 NIST
Inp 2962.10 NIST
Inp 3048.00 NIST

Similar Compounds

trans-3-O-Coumaroyl-D-quinic acid, pentakis-TMS. 4-O-Coumaroyl-D-quinic acid, 5TMS. Chlorogenic acid (6TMS). Caffeoylquinic acid, 5-trans-, 6TMS. Caffeoylquinic acid, 3-trans-, 6TMS. trans-5-O-Caffeoyl-D-quinic acid, hexakis-TMS. trans-3-O-Caffeoyl-D-quinic acid, hexakis-TMS. 3-Caffeoyl quinic acid, TMS. Caffeoylquinic acid, TMS. 5-O-Feruloylquinic acid, 5TMS. 3-O-Feruloylquinic acid, 5TMS. cis-5-O-Feruloylquinic acid, 5TMS. Caffeoylquinic acid, 4-trans-, 6TMS. trans-4-O-Caffeoyl-D-quinic acid, hexakis-TMS. 4-O-Feruloylquinic acid, 5TMS.

Find more compounds similar to 3-O-Coumaroyl-D-quinic acid, 5TMS.

Sources

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