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Saccharic Acid
CAS: 87-73-0 | C6H10O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87-73-0
Molecular Formula:
C6H10O8
Molecular Mass:
210.14 g/mol
Names and Synonyms:
Saccharic Acid
D-Glucaric acid
Glucaric acid, D-
Saccharic acid
D-Glucosaccharic acid
D-Saccharic acid
D-Tetrahydroxyadipic acid
L-Gularic acid
D-Saccharate
D-(+)-Saccharic acid
Saccharic acids
Identifiers:
SMILES:
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
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
Key Properties
Melting Point
125.5 °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 | 210.14 g/mol | CAS Common Chemistry |
| 210.138 g/mol | RDKit | |
| 210.03756728 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 |
| Molar Refractivity | 39.2988 | RDKit |
