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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 Weight:
182.172 g/mol
Names and Synonyms:
Mannitol
Common Name
Mannitol 300DC
Synonym
Granitol S
Synonym
Granutol F
Synonym
Granutol S
Synonym
Mannit Q
Synonym
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
Synonym
M 100
Synonym
Granutol R
Synonym
Mannitol SD 200
Synonym
PharmMannidex 16701
Synonym
PharmMannidex
Synonym
Pearlitol 100
Synonym
Pearlitol 2005D
Synonym
Bronchitol
Synonym
Parteck 300
Synonym
Orocell 200
Synonym
Brightmoon
Synonym
Mannitol 60
Synonym
Mannitol 35
Synonym
Mannitol P 60
Synonym
Parteck Delta M
Synonym
Perteck M
Synonym
Parteck M 300
Synonym
Pearlitol 25C
Synonym
Pearlitol 160C
Synonym
Nonpareil 108
Synonym
Pearlitol
Synonym
Partek M
Synonym
Nonpareil 108(200)
Synonym
Perlitol SD 200
Synonym
Parteck M 100
Synonym
Mannidex 16700
Synonym
Pearlitol SD 100
Synonym
Pearlitol 50C
Synonym
Mannit S
Synonym
Parteck M 200
Synonym
Pearlitol 200SD
Synonym
D-Mannit
Synonym
Mannit 60
Synonym
Pearlitol 100SD
Synonym
Cerestar 16700
Synonym
Mannogem EZ
Synonym
E 421
Synonym
Mannit P
Synonym
Resectisol
Synonym
Manicol
Synonym
Marine Crystal
Synonym
Mannogem 2080
Synonym
Mannitolum
Synonym
Maniton S
Synonym
Mannistol
Synonym
Mannigen
Synonym
Isotol
Synonym
Mannit
Synonym
Osmosal
Synonym
Diosmol
Synonym
Mannidex
Synonym
Manna sugar
Synonym
D-(-)-Mannitol
Synonym
Mannitol
Synonym
Osmitrol
Synonym
Mannite
Synonym
Cordycepic acid
Synonym
Mannitol, D-
Synonym
D-Mannitol
Synonym
Identifiers:
SMILES:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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
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 | 182.17 g/mol | Legacy Database |
| density | 1.52 g/cm³ | Legacy Database |
| cas-boiling-point | 290-295 °C @ Press: 3.5 Torr None | Legacy Database |
| cas-canonical-smile | OCC(O)C(O)C(O)C(O)CO None | Legacy Database |
| cas-density | 1.52 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=FBPFZTCFMRRESA-KVTDHHQDSA-N None | Legacy Database |
| cas-melting-point | 166-168 °C None | Legacy Database |
| cas-name | Mannitol None | Legacy Database |
| LogP | -3.5854000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 182.172 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 182.079038168 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 121.38000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.198800000000006 | RDKit |