Chemical Properties of .beta.-Mannosyl-(1-4)-N-acetylglucosamine, permethyl

.beta.-Mannosyl-(1-4)-N-acetylglucosamine, permethyl

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InChI
InChI=1S/C21H39NO11/c1-11(23)22-14-17(27-5)16(13(10-25-3)31-20(14)30-8)33-21-19(29-7)18(28-6)15(26-4)12(32-21)9-24-2/h12-21H,9-10H2,1-8H3,(H,22,23)/t12-,13-,14-,15-,16-,17-,18+,19+,20-,21+/m0/s1
InChI Key
QOFHGUDPNFUDAH-CQAPXEFUSA-N
Formula
C21H39NO11
SMILES
COCC1OC(OC2C(COC)OC(OC)C(NC(C)=O)C2OC)C(OC)C(OC)C1OC
Molecular Weight1
481.53
Sources

Physical Properties

Property Value Unit Source
Δf -938.61 kJ/mol Joback Calculated Property
Δfgas -1911.72 kJ/mol Joback Calculated Property
Δfus 74.54 kJ/mol Joback Calculated Property
Δvap 102.21 kJ/mol Joback Calculated Property
logPoct/wat -0.67 Crippen Calculated Property
Pc 997.65 kPa Joback Calculated Property
Tboil 1018.92 K Joback Calculated Property
Tc 1247.65 K Joback Calculated Property
Tfus 640.84 K Joback Calculated Property
Vc 1.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1346.22 J/mol×K 1018.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 8
-O- (ring) 2
>C=O (nonring) 1
-CH2- 2
>NH 1
-CH3 8
>CH- (ring) 10

Similar Compounds

(R)-2-Butyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-[3-o-glucopyranoside. (S)-2-Butyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-[3-o-glucopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-galactopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«beta»-D-glucopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-mannopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«beta»-D-galactopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-glucopyranoside. N-Methyl-N-(2,4,5-trimethoxy-6-methoxymethyl-tetrahydro-pyran-3-yl)-acetamide. N-Methyl 2-deoxy-3 4,6-tri-O-methyl-2-(N-ethylacetamido) -«beta» - D- galactopyranoside. Methyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-ol-D-mannopyranoside. Acetic acid 5-(acetyl-methyl-amino) -4,6-dimethoxy-2-methoxymethyl-tetrahydro-pyran-3-yl ester. Methyl 4,6-di-O-acetyl-2-deoxy-3-O-methyl-2-(N-methylacetamido)-«alpha»-D-glucopyranoside. Acetic acid 3-(acetyl-methyl-amino) -2,5-dimethoxy-6-methoxymethyl-tetrahydro-pyran-4-yl ester. Acetic acid 2-acetoxymethyl-5-(acetyl-methyl-amino)-3,6-dimethoxy-tetrahydro-pyran-4-yl ester. Alpha,d-glucopyranoside, 2-acetamido-2-deoxy-.

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