Chemical Properties of «alpha»-D-Cellobiose octaacetate (CAS 5346-90-7)

«alpha»-D-Cellobiose octaacetate

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InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m0/s1
InChI Key
WOTQVEKSRLZRSX-GCUFADGCSA-N
Formula
C28H38O19
SMILES
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Molecular Weight1
678.59
CAS
5346-90-7
Other Names
  • Cellobiose octaacetate
  • Cellobiose, octaacetate alpha, d-
  • Cellobiose, octaacetate, «alpha»-
  • Cellobiose, octaacetate, «alpha»-D-
  • D-Cellobiose octaacetate
  • Octaacetyl-«alpha»-cellobiose
  • alpha-D-Cellobiose octaacetate
  • «alpha»-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-«beta»-D-glucopyranosyl)-, tetraacetate
Sources

Physical Properties

Property Value Unit Source
Δf -1976.50 kJ/mol Joback Calculated Property
Δfgas -3029.95 kJ/mol Joback Calculated Property
Δfus 99.96 kJ/mol Joback Calculated Property
Δvap 160.99 kJ/mol Joback Calculated Property
logPoct/wat -0.83 Crippen Calculated Property
Pc 851.47 kPa Joback Calculated Property
Tboil 1528.42 K Joback Calculated Property
Tc 2047.08 K Joback Calculated Property
Tfus 1038.81 K Joback Calculated Property
Vc 1.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1350.50 J/mol×K 1528.42 Joback Calculated Property
η 0.00 Pa×s 1528.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 9
-O- (ring) 2
>C=O (nonring) 8
-CH2- 2
-CH3 8
>CH- (ring) 10

Similar Compounds

«beta»-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-«alpha»-D-glucopyranosyl)-, tetraacetate. Galactose, alpha,d-,pentaacetate. Glucose, 6-methyl, acetylated. Glucose, 3,6-diethyl, acetylated. «alpha»-D-Glucopyranose, pentaacetate. 4,6-Dimethyl-1,2,3-triacetylglucoside (B). 4,6-Dimethyl-1,2,3-triacetylglucoside (A). 4-Methyl-1,2,3,6-tetraacetylglucoside (B). Glucose, 3-ethyl, acetylated. «beta»-D-Glucopyranose pentaacetate. 4-Methyl-1,2,3,6-tetraacetylglucoside (A). Glucose, 6-ethyl, acetylated. Glucose, 3-methyl, acetylated. 3-Methyl-1,2,4,6-tetraacetylglucoside (B). 2,6-Dimethyl-1,3,4-triacetylglucoside (A).

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