Back to Search
L-Mannose
CAS: 10030-80-5 | C6H12O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10030-80-5
Molecular Formula:
C6H12O6
Molecular Mass:
180.16 g/mol
Names and Synonyms:
L-Mannose
L-Mannose
Mannose, L-
Identifiers:
SMILES:
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChI:
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m0/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.16 g/mol | CAS Common Chemistry |
| 180.15599999999998 g/mol | RDKit | |
| 180.063388104 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GZCGUPFRVQAUEE-BXKVDMCESA-N | CAS Common Chemistry |
| Name | L-Mannose | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 118.22000000000001 Ų | RDKit |
| LogP | -3.3788000000000005 | RDKit |
| Molar Refractivity | 37.177 | RDKit |
