Acetylpropionylcellulose

C₇₆H₁₁₄O₄₉CAS 9004-39-11811.70 g/mol

Properties

Molecular formula: C₇₆H₁₁₄O₄₉
Molar mass: 1811.70 g/mol
Exact mass: 1810.6429 Da
Melting point: 230–260 °C
logP: -3.94Crippen estimate
Polar surface area: 665.7 Å²
H-bond donors / acceptors: 8 / 49
Rotatable bonds: 36

Hazards

Not classified as hazardous under GHS by 49 ECHA notifiers. Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

9004-39-1

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

InChIKey

HKQOBOMRSSHSTC-UHFFFAOYSA-N

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)13-5;1-11(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;13-1-3-5(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,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

52 names · show all

Cellulose, acetate propanoate
Cellulose, acetate propionate
Cellulose acetate-propionate mixed ester
CAP 141
CAP 482
CAP 242-0.5
E 504
CAP 504-02
CAP 482-0.5
307E
CP-M
Cabloid CP-M
PLFS 130
Tenite propionate 361A2R300-10
CAP-H 4
CAP-MH
CAP-S 2
CAP 482-2.0
307E09
Tenite 371-12
CAP 482-0.2
CAP 504-0.2
CAP 540-0.2
CAP 482-20
Tenite propionate 360A40009
KC 8NTACS
CAP 141-20
KA
CAP 360
CAP 481-20
Tenite propionate 360A
E 504 (Cellulose deriv.)
Tenite 371A4861316
Tenite 371A4000012
CAB 504-0.2
Tenite propionate 307E40000-09
Tenite propionate 371A4000012
CAB 482
TP 360A40000-12
CAP 30735-603-121A
CAP 480-20
Eastman CAP 482-20
CAP
CAP 554-0.2
CAP 482-3
CAP 202-29
Tenite propionate 380A4000015
CAP 48205
Tenite propionate 360A4000012
GC 6021
Treva GC 6021
CE 26627

Work with Acetylpropionylcellulose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octaacetyl-β-maltose22352-19-852 % similar α-D-Cellobiose octaacetate5346-90-752 % similar Glycogen9005-79-247 % similar 1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-447 % similar α-D-Lactose14641-93-147 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-847 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-147 % similar β-D-Galactose pentaacetate4163-60-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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