Chemical Properties of Caffeoylquinic acid, 5-trans-, 6TMS

Caffeoylquinic acid, 5-trans-, 6TMS

PDF Excel Molecule Calculator
InChI
InChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-29-24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(40-46(7,8)9)32(29)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20+/t29-,30-,32-,34+/m0/s1
InChI Key
ZUMPKHAQJVFOSF-LMZDPMOPSA-N
Formula
C34H66O9Si6
SMILES
C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)CC(OC(=O)C=Cc2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
Molecular Weight1
787.40
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS 3.78 Crippen Calculated Property
logPoct/wat 9.241 Crippen Calculated Property
Inp [3210.00; 3210.00]   Show Hide
Inp 3210.00 NIST
Inp 3210.00 NIST

Similar Compounds

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

Find more compounds similar to Caffeoylquinic acid, 5-trans-, 6TMS.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.