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Molecule
Mannitol
CAS: 69-65-8 · C6H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 69-65-8
- Molecular Formula
- C6H14O6
- Molecular Mass
- 182.17 g/mol
Identifiers
CAS Registry Number
69-65-8
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
FBPFZTCFMRRESA-KVTDHHQDSA-N
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Names and Synonyms
- Mannitol Common Name
- D-Mannitol Synonym
- Mannitol, D- Synonym
- Cordycepic acid Synonym
- Mannite Synonym
- Osmitrol Synonym
- Mannitol Synonym
- D-(-)-Mannitol Synonym
- Manna sugar Synonym
- Mannidex Synonym
- Diosmol Synonym
- Osmosal Synonym
- Mannit Synonym
- Isotol Synonym
- Mannigen Synonym
- Mannistol Synonym
- Maniton S Synonym
- Mannitolum Synonym
- Mannogem 2080 Synonym
- Marine Crystal Synonym
- Manicol Synonym
- Resectisol Synonym
- Mannit P Synonym
- E 421 Synonym
- Mannogem EZ Synonym
- Cerestar 16700 Synonym
- Pearlitol 100SD Synonym
- Mannit 60 Synonym
- D-Mannit Synonym
- Pearlitol 200SD Synonym
- Parteck M 200 Synonym
- Mannit S Synonym
- Pearlitol 50C Synonym
- Pearlitol SD 100 Synonym
- Mannidex 16700 Synonym
- Parteck M 100 Synonym
- Perlitol SD 200 Synonym
- Nonpareil 108(200) Synonym
- Partek M Synonym
- Pearlitol Synonym
- Nonpareil 108 Synonym
- Pearlitol 160C Synonym
- Pearlitol 25C Synonym
- Parteck M 300 Synonym
- Perteck M Synonym
- Parteck Delta M Synonym
- Mannitol P 60 Synonym
- Mannitol 35 Synonym
- Mannitol 60 Synonym
- Brightmoon Synonym
- Orocell 200 Synonym
- Parteck 300 Synonym
- Bronchitol Synonym
- Pearlitol 2005D Synonym
- Pearlitol 100 Synonym
- PharmMannidex Synonym
- PharmMannidex 16701 Synonym
- Mannitol SD 200 Synonym
- Granutol R Synonym
- M 100 Synonym
- (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol Synonym
- Mannit Q Synonym
- Granutol S Synonym
- Granutol F Synonym
- Granitol S Synonym
- Mannitol 300DC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.17 g/mol | CAS Common Chemistry |
| 182.172 g/mol | RDKit | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FBPFZTCFMRRESA-KVTDHHQDSA-N | CAS Common Chemistry |
| Melting Point | 166-168 °C | CAS Common Chemistry |
| Name | Mannitol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 121.38000000000001 Ų | RDKit |
| 121.38 Ų | RDKit | |
| LogP | -3.5854000000000004 | RDKit |
| -3.5854 | RDKit | |
| Molar Refractivity | 38.198800000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 182.079038168 g/mol | RDKit |
| Boiling Point | 290-295 °C @ 3.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 182.17 g/mol; density = 1.520 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O6.
