Chemical Properties of Scopoletin «beta»-D-glucopyranoside, TFA

Scopoletin «beta»-D-glucopyranoside, TFA

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InChI
InChI=1S/C24H14F12O13/c1-42-9-4-7-2-3-12(37)44-8(7)5-10(9)45-16-15(49-20(41)24(34,35)36)14(48-19(40)23(31,32)33)13(47-18(39)22(28,29)30)11(46-16)6-43-17(38)21(25,26)27/h2-5,11,13-16H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChI Key
LCASGYIODNQINV-YMILTQATSA-N
Formula
C24H14F12O13
SMILES
COc1cc2ccc(=O)oc2cc1OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
738.34
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Physical Properties

Property Value Unit Source
log10WS -10.25 Crippen Calculated Property
logPoct/wat 3.433 Crippen Calculated Property
McVol 375.290 ml/mol McGowan Calculated Property
Inp 2510.00 NIST

Similar Compounds

1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Benzylmorphine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to Scopoletin «beta»-D-glucopyranoside, TFA.

Sources

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