Chemical Properties of 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole (CAS 13060-15-6)

5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole

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InChI
InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3
InChI Key
ONDWGDNAFRAXCN-UHFFFAOYSA-N
Formula
C22H24O7
SMILES
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc(OC)c1OC
Molecular Weight1
400.42
CAS
13060-15-6
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Physical Properties

Property Value Unit Source
ΔfG° -198.11 kJ/mol Joback Calculated Property
ΔfH°gas -820.62 kJ/mol Joback Calculated Property
ΔfusH° 65.63 kJ/mol Joback Calculated Property
ΔvapH° 97.47 kJ/mol Joback Calculated Property
log10WS -4.53 Crippen Calculated Property
logPoct/wat 3.516 Crippen Calculated Property
McVol 281.830 ml/mol McGowan Calculated Property
Pc 1703.31 kPa Joback Calculated Property
Inp [3212.80; 3212.80]   Show Hide
Inp 3212.80 NIST
Inp 3212.80 NIST
Tboil 980.17 K Joback Calculated Property
Tc 1225.64 K Joback Calculated Property
Tfus 668.65 K Joback Calculated Property
Vc 1.044 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [977.78; 1044.88] J/mol×K [980.17; 1225.64] Show Hide
Cp,gas 977.78 J/mol×K 980.17 Joback Calculated Property
Cp,gas 992.46 J/mol×K 1021.08 Joback Calculated Property
Cp,gas 1005.64 J/mol×K 1061.99 Joback Calculated Property
Cp,gas 1017.40 J/mol×K 1102.90 Joback Calculated Property
Cp,gas 1027.80 J/mol×K 1143.81 Joback Calculated Property
Cp,gas 1036.94 J/mol×K 1184.72 Joback Calculated Property
Cp,gas 1044.88 J/mol×K 1225.64 Joback Calculated Property
η [0.0004473; 0.0012124] Pa×s [668.65; 980.17] Show Hide
η 0.0012124 Pa×s 668.65 Joback Calculated Property
η 0.0009671 Pa×s 720.57 Joback Calculated Property
η 0.0007952 Pa×s 772.49 Joback Calculated Property
η 0.0006702 Pa×s 824.41 Joback Calculated Property
η 0.0005764 Pa×s 876.33 Joback Calculated Property
η 0.0005042 Pa×s 928.25 Joback Calculated Property
η 0.0004473 Pa×s 980.17 Joback Calculated Property

Similar Compounds

1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-. 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. 12-O-Methylcarnosol. (2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. 2,4-Bis(4-methoxyphenyl)-3,5-dimethyltetrahydrofuran. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. Dihydroergokryptine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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