Chemical Properties of GA1, 13-O-glucoside, permethylated

GA1, 13-O-glucoside, permethylated

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InChI
InChI=1S/C31H46O11/c1-16-13-29-15-30(16,41-26-23(38-7)22(37-6)21(36-5)17(40-26)14-34-3)11-9-18(29)31-12-10-19(35-4)28(2,27(33)42-31)24(31)20(29)25(32)39-8/h17-24,26H,1,9-15H2,2-8H3/t17-,18-,19+,20-,21-,22+,23-,24-,26+,28-,29+,30+,31-/m0/s1
InChI Key
HYBNOVUMHWAGNC-VWAQXLAKSA-N
Formula
C31H46O11
SMILES
C=C1CC23CC1(OC1OC(COC)C(OC)C(OC)C1OC)CCC2C12CCC(OC)C(C)(C(=O)O1)C2C3C(=O)OC
Molecular Weight1
594.69
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Physical Properties

Property Value Unit Source
Δf -667.46 kJ/mol Joback Calculated Property
Δfgas -1714.17 kJ/mol Joback Calculated Property
Δfus 60.88 kJ/mol Joback Calculated Property
Δvap 115.21 kJ/mol Joback Calculated Property
log10WS -3.54 Crippen Calculated Property
logPoct/wat 2.434 Crippen Calculated Property
McVol 434.160 ml/mol McGowan Calculated Property
Pc 885.77 kPa Joback Calculated Property
Inp [3529.00; 3532.00]   Show
Inp 3532.00 NIST
Inp 3529.00 NIST
Inp 3530.00 NIST
Inp 3531.00 NIST
Tboil 1270.43 K Joback Calculated Property
Tc 1560.31 K Joback Calculated Property
Tfus 935.67 K Joback Calculated Property
Vc 1.623 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [2057.50; 2667.51] J/mol×K [1270.43; 1560.31] Show
T(K)
Ideal gas heat capacity (J/mol×K)
2000
2100
2200
2300
2400
2500
2600
2700
1300
1400
1500
Cp,gas 2057.50 J/mol×K 1270.43 Joback Calculated Property
Cp,gas 2137.72 J/mol×K 1318.74 Joback Calculated Property
Cp,gas 2225.40 J/mol×K 1367.06 Joback Calculated Property
Cp,gas 2321.37 J/mol×K 1415.37 Joback Calculated Property
Cp,gas 2426.48 J/mol×K 1463.68 Joback Calculated Property
Cp,gas 2541.58 J/mol×K 1512.00 Joback Calculated Property
Cp,gas 2667.51 J/mol×K 1560.31 Joback Calculated Property

Similar Compounds

GA8-13-O-glucoside, permethylated. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl. GA1-13-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-13-O-glucoside, permethylated. GA8-2-O-glucoside, permethyl. GA8-2«beta»-O-glucoside, permethylated. GA1-3-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-3«alpha»-O-glucoside, permethylated. GA1-3«beta»-O-glucoside, permethylated. GA8-2-O-«beta»-D-glucopyranoside, permethyl. 3-epiGA1-3-O-«beta»-D-glucopyranoside, permethyl. GA3-13-O-glucoside, permethylated. GA3-3«beta»-O-glucoside, permethylated. GA7-3«beta»-O-glucoside, permethylated. GA20-13-O-glucoside, permethylated.

Find more compounds similar to GA1, 13-O-glucoside, permethylated.

Sources

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