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Molecule
Saccharic Acid
CAS: 87-73-0 · C6H10O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 87-73-0
- Molecular Formula
- C6H10O8
- Molecular Mass
- 210.14 g/mol
Identifiers
CAS Registry Number
87-73-0
SMILES
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
DSLZVSRJTYRBFB-LLEIAEIESA-N
InChI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
Names and Synonyms
- Saccharic Acid Common Name
- D-Glucaric acid Synonym
- Glucaric acid, D- Synonym
- Saccharic acid Synonym
- D-Glucosaccharic acid Synonym
- D-Saccharic acid Synonym
- D-Tetrahydroxyadipic acid Synonym
- L-Gularic acid Synonym
- D-Saccharate Synonym
- D-(+)-Saccharic acid Synonym
- Saccharic acids Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.14 g/mol | CAS Common Chemistry |
| 210.138 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Saccharic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DSLZVSRJTYRBFB-LLEIAEIESA-N | CAS Common Chemistry |
| Melting Point | 125.5 °C | CAS Common Chemistry |
| Name | Saccharic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.52 Ų | RDKit |
| LogP | -3.4008000000000007 | RDKit |
| -3.4008 | RDKit | |
| Molar Refractivity | 39.2988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 210.03756728 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 = 210.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O8.
