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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
Names and Synonyms:
L-Rhamnose Monohydrate
L-Mannose, 6-deoxy-, hydrate (1:1)
Rhamnose, monohydrate, L-
L-Mannose, 6-deoxy-, monohydrate
L-Rhamnose monohydrate
Rhamnose monohydrate
Identifiers:
SMILES:
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O.O
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
Key Properties
Melting Point
95 °C
CAS Common Chemistry
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 | 182.17 g/mol | CAS Common Chemistry |
| 182.17199999999997 g/mol | RDKit | |
| 182.079038168 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 |
| Molar Refractivity | 39.379000000000005 | RDKit |
