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Fructose 1,6-Bisphosphate
CAS: 488-69-7 | C6H14O12P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
488-69-7
Molecular Formula:
C6H14O12P2
Molecular Mass:
340.11 g/mol
Names and Synonyms:
Fructose 1,6-Bisphosphate
D-Fructose, 1,6-bis(dihydrogen phosphate)
Fructose, 1,6-bis(dihydrogen phosphate), D-
Fructose 1,6-diphosphate
D-Fructose 1,6-diphosphate
Harden-Young ester
FDP
Fructose 1,6-bisphosphate
Diphosphofructose
D-Fructose 1,6-bisphosphate
Fructose 1,6-bis(dihydrogen phosphate)
Esafosfan
Esafosfina
D-Fructose 1,6-biphosphate
Fosfructose
Identifiers:
SMILES:
O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChI:
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
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 | 340.11 g/mol | CAS Common Chemistry |
| 340.11400000000003 g/mol | RDKit | |
| 339.99604914799994 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fructose_1,6-bisphosphate | CAS Common Chemistry |
| Canonical SMILES | O=C(COP(=O)(O)O)C(O)C(O)C(O)COP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XPYBSIWDXQFNMH-UYFOZJQFSA-N | CAS Common Chemistry |
| Name | Fructose 1,6-bisphosphate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 211.27999999999997 Ų | RDKit |
| LogP | -3.1432 | RDKit |
| Molar Refractivity | 59.01960000000003 | RDKit |
