Chemical Properties of Vomifoliol 2A, Gly, TFA

Vomifoliol 2A, Gly, TFA

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InChI
InChI=1S/C27H26F12O12/c1-10-7-12(40)8-22(3,4)23(10,45)6-5-11(2)47-17-16(51-21(44)27(37,38)39)15(50-20(43)26(34,35)36)14(49-19(42)25(31,32)33)13(48-17)9-46-18(41)24(28,29)30/h5-7,11,13-17,45H,8-9H2,1-4H3/b6-5+/t11?,13-,14-,15+,16-,17-,23+/m0/s1
InChI Key
RLAMSVSKZSJPFN-RNPOMOAQSA-N
Formula
C27H26F12O12
SMILES
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(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
770.47

Physical Properties

Property Value Unit Source
Δf -3438.63 kJ/mol Joback Calculated Property
Δfgas -4326.61 kJ/mol Joback Calculated Property
Δfus 70.84 kJ/mol Joback Calculated Property
Δvap 122.71 kJ/mol Joback Calculated Property
log10WS -6.48 Crippen Calculated Property
logPoct/wat 3.877 Crippen Calculated Property
McVol 431.150 ml/mol McGowan Calculated Property
Pc 783.31 kPa Joback Calculated Property
Inp [2300.00; 2307.00]   Show Hide
Inp 2300.00 NIST
Inp 2307.00 NIST
Inp 2300.00 NIST
Tboil 1334.10 K Joback Calculated Property
Tc 1763.09 K Joback Calculated Property
Tfus 911.85 K Joback Calculated Property
Vc 1.698 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1757.13; 2234.24] J/mol×K [1334.10; 1763.09] Show Hide
Cp,gas 1757.13 J/mol×K 1334.10 Joback Calculated Property
Cp,gas 1813.20 J/mol×K 1405.60 Joback Calculated Property
Cp,gas 1876.47 J/mol×K 1477.10 Joback Calculated Property
Cp,gas 1948.58 J/mol×K 1548.59 Joback Calculated Property
Cp,gas 2031.16 J/mol×K 1620.09 Joback Calculated Property
Cp,gas 2125.84 J/mol×K 1691.59 Joback Calculated Property
Cp,gas 2234.24 J/mol×K 1763.09 Joback Calculated Property

Similar Compounds

Vomifoliol 1A, Gly, TFA. (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA. Vomifolyl «beta»-D-glucopyranoside, TFA. azadirachtin. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Paclitaxel. 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. [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»)-. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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