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1,2:5,6-Di-O-Isopropylidene-D-Mannitol
CAS: 1707-77-3 | C12H22O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1707-77-3
Molecular Formula:
C12H22O6
Molecular Mass:
262.30 g/mol
Names and Synonyms:
1,2:5,6-Di-O-Isopropylidene-D-Mannitol
D-Mannitol, 1,2:5,6-bis-O-(1-methylethylidene)-
Mannitol, 1,2:5,6-di-O-isopropylidene-, D-
1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol
1,2:5,6-Di-O-isopropylidene-D-mannitol
D-(+)-1,2:5,6-Di-O-isopropylidenemannitol
Diisopropylidene mannitol
Mannitol diacetonide
D-Mannitol 1,2:5,6-bis-acetonide
1,2:5,6-Diisopropylidene-D-mannitol
NSC 47987
NSC 67545
NSC 89874
Identifiers:
SMILES:
CC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(C)(C)O2)O1
InChI:
InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
Key Properties
Melting Point
122 °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 | 262.30 g/mol | CAS Common Chemistry |
| 262.30199999999996 g/mol | RDKit | |
| 262.141638424 g/mol | RDKit | |
| Canonical SMILES | OC(C(O)C1OC(OC1)(C)C)C2OC(OC2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ODYBCPSCYHAGHA-ZYUZMQFOSA-N | CAS Common Chemistry |
| Melting Point | 122 °C | CAS Common Chemistry |
| Name | 1,2:5,6-Di-O-isopropylidene-D-mannitol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.38000000000001 Ų | RDKit |
| LogP | 0.011199999999999655 | RDKit |
| Molar Refractivity | 61.82160000000005 | RDKit |
