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Molecule
Sucrose, Stearate
CAS: 37318-31-3 · C30H58O13
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 37318-31-3
- Molecular Formula
- C30H58O13
- Molecular Mass
- 626.78 g/mol
Identifiers
CAS Registry Number
37318-31-3
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 Key
ONAIRGOTKJCYEY-XXDXYRHBSA-N
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
Names and Synonyms
- Sucrose, Stearate Systematic Name
- α-D-Glucopyranoside, β-D-fructofuranosyl, octadecanoate Synonym
- Ryoto Sugar Ester S 370F Synonym
- Ryoto Sugar Ester S 1170 Synonym
- Sucroester WE 11 Synonym
- Ryoto Sugar Ester S 170 Synonym
- S 1170 Synonym
- S 970 Synonym
- Ryoto Sugar Ester SM 1800 Synonym
- DK 50 Synonym
- DK 160 Synonym
- S 1570 Synonym
- Ryoto Sugar Ester S 1570 Synonym
- S 270 Synonym
- Ryoto Sugar Ester S 70 Synonym
- SM 90 (sugar ester) Synonym
- Ryoto Sugar Ester S 1170F Synonym
- Ryoto Sugar Ester S 570 Synonym
- S 070 Synonym
- Crodesta F 140 Synonym
- SS 7 Synonym
- SS 15 Synonym
- Surfhope Sepharma J 1811F Synonym
- Sucrose octadecanoate Synonym
- S 170 Synonym
- Crodesta F 90 Synonym
- Sisterna SP 50 Synonym
- Ryoto Sugar Ester S 1170S Synonym
- Ryoto Sugar Ester S 395 Synonym
- S 395 Synonym
- Sefose 1618H Synonym
- SEFA polystearate Synonym
- Surfhope SE Cosme C 1816 Synonym
- Cosmelike S 10 Synonym
- DK Ester O 10 Synonym
- DUB-SE 11S Synonym
- Cosmelike S 110 Synonym
- SE 1570 Synonym
- SE 970 Synonym
- Surfhope C 1816 Synonym
- Rikemal A Synonym
- Surfhope J 1809 Synonym
- Surfhope J 1815 Synonym
- Ryoto Sugar Ester S 070 Synonym
- Surfhope SE COSME C 1802 Synonym
- Surfhope SE Cosme C 1811 Synonym
- Surfhope SE COSME C 1800 Synonym
- Surfhope SE COSME C 1801 Synonym
- Surfhope J 1811 Synonym
- DKF 10 Synonym
- Ryoto S 1170 Synonym
- Surfhope SE Cosme C 1815 Synonym
- SFE 1815 Synonym
- SP 10C Synonym
- Ryoto S 170 Synonym
- Sucrose stearate Synonym
- Saccharose stearate Synonym
- Tego Care SE 121 Synonym
- Sugar Ester S 570 Synonym
- Emalex C 1611 Synonym
- S 370 Synonym
- Ryoto Sugar Ester S 1170J Synonym
- Sugar Ester S 170 Synonym
- Surfhope C 1815 Synonym
- Sucrose, stearate Synonym
- Cane sugar stearate Synonym
- Crodesta F 110 Synonym
- SM 90 Synonym
- Crodesta F 160 Synonym
- Nitto Ester S 370 Synonym
- Ryoto Sugar Ester S 270 Synonym
- Ryoto Sugar Ester S 970 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 626.78 g/mol | CAS Common Chemistry |
| 626.7810000000005 g/mol | RDKit | |
| 626.781 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCC.OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ONAIRGOTKJCYEY-XXDXYRHBSA-N | CAS Common Chemistry |
| Melting Point | 56-60 °C | CAS Common Chemistry |
| Name | Sucrose, stearate | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 226.82999999999998 Ų | RDKit |
| 226.83 Ų | RDKit | |
| LogP | 0.9369000000000007 | RDKit |
| 0.9369 | RDKit | |
| Molar Refractivity | 155.82319999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9667 | RDKit |
| 0.97 | chempirical lib | |
| Exact Mass | 626.3877419159999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 626.78 g/mol. Edit any field — others recompute live.
