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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
Mannitol 300DC
Granitol S
Granutol F
Granutol S
Mannit Q
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
M 100
Granutol R
Mannitol SD 200
PharmMannidex 16701
PharmMannidex
Pearlitol 100
Pearlitol 2005D
Bronchitol
Parteck 300
Orocell 200
Brightmoon
Mannitol 60
Mannitol 35
Mannitol P 60
Parteck Delta M
Perteck M
Parteck M 300
Pearlitol 25C
Pearlitol 160C
Nonpareil 108
Pearlitol
Partek M
Nonpareil 108(200)
Perlitol SD 200
Parteck M 100
Mannidex 16700
Pearlitol SD 100
Pearlitol 50C
Mannit S
Parteck M 200
Pearlitol 200SD
D-Mannit
Mannit 60
Pearlitol 100SD
Cerestar 16700
Mannogem EZ
E 421
Mannit P
Resectisol
Manicol
Marine Crystal
Mannogem 2080
Mannitolum
Maniton S
Mannistol
Mannigen
Isotol
Mannit
Osmosal
Diosmol
Mannidex
Manna sugar
D-(-)-Mannitol
Mannitol
Osmitrol
Mannite
Cordycepic acid
Mannitol, D-
D-Mannitol
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -3.5854000000000004 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.198800000000006 | RDKit |
