Chemical Properties of 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl

3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl

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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-XWEPWYGHSA-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
Sources

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
logPoct/wat 2.43 Crippen Calculated Property
Pc 885.77 kPa Joback Calculated Property
Tboil 1270.43 K Joback Calculated Property
Tc 1560.31 K Joback Calculated Property
Tfus 935.67 K Joback Calculated Property
Vc 1.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2057.50 J/mol×K 1270.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 7
-O- (ring) 2
-CH3 7
=CH2 1
=C< (ring) 1
-CH2- 1
>C< (ring) 4
>C=O (nonring) 1
>CH- (ring) 9
-CH2- (ring) 6
>C=O (ring) 1

Similar Compounds

GA1, 13-O-glucoside, permethylated. GA1-13-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-13-O-glucoside, permethylated. GA8-13-O-glucoside, permethylated. 3-epi-GA1-3«alpha»-O-glucoside, permethylated. 3-epiGA1-3-O-«beta»-D-glucopyranoside, permethyl. GA1-3-O-«beta»-D-glucopyranoside, permethyl. GA1-3«beta»-O-glucoside, permethylated. GA8-2«beta»-O-glucoside, permethylated. GA8-2-O-«beta»-D-glucopyranoside, permethyl. GA8-2-O-glucoside, permethyl. GA20-13-O-glucoside, permethyl. GA20-13-O-glucoside, permethylated. GA35-11.beta.-O-glucoside, permethylated. GA4-3.beta.-O-glucoside, permethylated.

Find more compounds similar to 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl.

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