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Sucrose, Stearate
CAS: 37318-31-3 | C30H58O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37318-31-3
Molecular Formula:
C30H58O13
Molecular Weight:
626.7810000000005 g/mol
Names and Synonyms:
Sucrose, Stearate
Ryoto Sugar Ester S 970
Ryoto Sugar Ester S 270
Nitto Ester S 370
Crodesta F 160
SM 90
Crodesta F 110
Cane sugar stearate
Sucrose, stearate
Surfhope C 1815
Sugar Ester S 170
Ryoto Sugar Ester S 1170J
S 370
Emalex C 1611
Sugar Ester S 570
Tego Care SE 121
Saccharose stearate
Sucrose stearate
Ryoto S 170
SP 10C
SFE 1815
Surfhope SE Cosme C 1815
Ryoto S 1170
DKF 10
Surfhope J 1811
Surfhope SE COSME C 1801
Surfhope SE COSME C 1800
Surfhope SE Cosme C 1811
Surfhope SE COSME C 1802
Ryoto Sugar Ester S 070
Surfhope J 1815
Surfhope J 1809
Rikemal A
Surfhope C 1816
SE 970
SE 1570
Cosmelike S 110
DUB-SE 11S
DK Ester O 10
Cosmelike S 10
Surfhope SE Cosme C 1816
SEFA polystearate
Sefose 1618H
S 395
Ryoto Sugar Ester S 395
Ryoto Sugar Ester S 1170S
Sisterna SP 50
Crodesta F 90
S 170
Sucrose octadecanoate
Surfhope Sepharma J 1811F
SS 15
SS 7
Crodesta F 140
S 070
Ryoto Sugar Ester S 570
Ryoto Sugar Ester S 1170F
SM 90 (sugar ester)
Ryoto Sugar Ester S 70
S 270
Ryoto Sugar Ester S 1570
S 1570
DK 160
DK 50
Ryoto Sugar Ester SM 1800
S 970
S 1170
Ryoto Sugar Ester S 170
Sucroester WE 11
Ryoto Sugar Ester S 1170
Ryoto Sugar Ester S 370F
α-D-Glucopyranoside, β-D-fructofuranosyl, octadecanoate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI:
InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 626.78 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CCCCCCCCCCCCCCCCC.OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O None | Legacy Database |
| cas-inchi | InChI=1S/C18H36O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h2-17H2,1H3,(H,19,20);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=ONAIRGOTKJCYEY-XXDXYRHBSA-N None | Legacy Database |
| cas-melting-point | 56-60 °C None | Legacy Database |
| cas-name | Sucrose, stearate None | Legacy Database |
| LogP | 0.9369000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 626.7810000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 626.3877419159999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 43 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 12 count | RDKit |
| Hydrogen Bond Donors | 9 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 21 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 226.82999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 155.82319999999999 | RDKit |
