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Molecule
L-Rhamnose Monohydrate
CAS: 10030-85-0 · C6H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10030-85-0
- Molecular Formula
- C6H14O6
- Molecular Mass
- 182.17 g/mol
Identifiers
CAS Registry Number
10030-85-0
SMILES
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O.O
InChI Key
CBDCDOTZPYZPRO-DEZHIRTDSA-N
InChI
InChI=1S/C6H12O5.H2O/c1-3(8)5(10)6(11)4(9)2-7;/h2-6,8-11H,1H3;1H2/t3-,4-,5-,6-;/m0./s1
Names and Synonyms
- L-Rhamnose Monohydrate Common Name
- L-Mannose, 6-deoxy-, hydrate (1:1) Synonym
- Rhamnose, monohydrate, L- Synonym
- L-Mannose, 6-deoxy-, monohydrate Synonym
- L-Rhamnose monohydrate Synonym
- Rhamnose monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.17 g/mol | CAS Common Chemistry |
| 182.17199999999997 g/mol | RDKit | |
| 182.172 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(O)C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O5.H2O/c1-3(8)5(10)6(11)4(9)2-7;/h2-6,8-11H,1H3;1H2/t3-,4-,5-,6-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CBDCDOTZPYZPRO-DEZHIRTDSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | L-Rhamnose monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 129.49 Ų | RDKit |
| LogP | -3.1759000000000013 | RDKit |
| -3.1759 | RDKit | |
| Molar Refractivity | 39.379000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 182.079038168 g/mol | RDKit |
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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MW = 182.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O6.
