Chemical Properties of trans-3-O-Caffeoyl-D-quinic acid, hexakis-TMS

trans-3-O-Caffeoyl-D-quinic acid, hexakis-TMS

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-XDUBOXGASA-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
logPoct/wat 9.241 Crippen Calculated Property
Inp [3260.00; 3260.00]   Show Hide
Inp 3260.00 NIST
Inp 3260.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Find more compounds similar to trans-3-O-Caffeoyl-D-quinic acid, hexakis-TMS.

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.
These property values are available through the Cheméo API. A free account gives you an access key.