CELLULOSE PROPIONATE

Product Information

Molecular Formula:
C76H114O49
Molecular Weight:
0
Synonyms
Cellulose,acetatepropanoate; CELLULOSE PROPIONATE; CELLULOSE ACETATE PROPIONATE; CELLULOSE ACETATE PROPIONATE, 42.5 WT. % PROPIONYL CONTENT, AVE. MN CA. 15,000; CELLULOSE ACETATE PROPIONATE, 46 WT. % P ROPIONYL CONTENT, AVE. MN CA. 75,000; CELLULOSE ACETATE
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate[(2R,3R,4S,5R,6S)-4,5,6-tri(propanoyloxy)-3-[(2S,3R,4S,5R,6R)-3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
Canonical SMILES
CCC(=O)OCC1C(C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC2C(C(C(C(O2)COC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC.CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
InChI
InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-51-11(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)3313-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H319-28H,9-10H2,1-8H33-20H,1-2H2/t19-,20-,29-,30-,31+,32+,33-,34-,35+,36+19-,20-,21-,22-,23+,24+,25-,26-,27-,28+3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m111/s1
InChI Key
HKQOBOMRSSHSTC-DIBAFDJWSA-N
Melting Point
188-210 °C (lit.)
Flash Point
Not applicable
Density
1.23 g/mL at 25 °C(lit.)

Computed Properties

Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
49
Rotatable Bond Count
52
Exact Mass
1810.6428700 g/mol
Monoisotopic Mass
1810.6428700 g/mol
Topological Polar Surface Area
666Ų
Heavy Atom Count
125
Formal Charge
0
Complexity
2910
Isotope Atom Count
0
Defined Atom Stereocenter Count
30
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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