Back to Search
Molecule
Sn-Glycero-3-Phosphocholine
CAS: 28319-77-9 · C8H20NO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28319-77-9
- Molecular Formula
- C8H20NO6P
- Molecular Mass
- 257.22 g/mol
Identifiers
CAS Registry Number
28319-77-9
SMILES
C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
InChI Key
SUHOQUVVVLNYQR-MRVPVSSYSA-N
InChI
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
Names and Synonyms
- Sn-Glycero-3-Phosphocholine Common Name
- Ethanaminium, 2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt Synonym
- Choline, hydroxide, 2,3-dihydroxypropyl hydrogen phosphate, inner salt, D- Synonym
- Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, (R)- Synonym
- O-(sn-glycero-3-Phosphoryl)-choline Synonym
- Glycerophosphorylcholine Synonym
- sn-glycero-3-Phosphorylcholine Synonym
- sn-glycero-3-Phosphorylcholine Synonym
- L-α-Glycerophosphorylcholine Synonym
- L-α-Glycerylphosphorylcholine Synonym
- Glycerophosphocholine Synonym
- L-α-Glycerophosphocholine Synonym
- Choline alfoscerate Synonym
- Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt, (R)- Synonym
- Gliatilin Synonym
- Delecit Synonym
- Brezal Synonym
- L-α-GPC Synonym
- Glycerol 3-phosphocholine Synonym
- Glycerol 3-phosphorylcholine Synonym
- Glycerophosphoric acid choline ester Synonym
- α-Glycerophosphorylcholine Synonym
- Glycerylphosphocholine Synonym
- α-Glycerylphosphorylcholine Synonym
- Glyceryl 3-phosphorylcholine Synonym
- Glycerylphosphorylcholine Synonym
- sn-glycero-3-Phosphocholine Synonym
- Cholitiline Synonym
- Cholicerin Synonym
- Cereton Synonym
- Choline alphoscerate Synonym
- Glycerol phosphorylcholine Synonym
- Nichiyu GPC 85R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.22 g/mol | CAS Common Chemistry |
| 257.22299999999996 g/mol | RDKit | |
| 257.223 g/mol | RDKit | |
| Canonical SMILES | O=P([O-])(OCC[N+](C)(C)C)OCC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SUHOQUVVVLNYQR-MRVPVSSYSA-N | CAS Common Chemistry |
| Melting Point | 142.5 °C | CAS Common Chemistry |
| Name | sn-glycero-3-Phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.05000000000001 Ų | RDKit |
| 99.05 Ų | RDKit | |
| LogP | -1.452599999999998 | RDKit |
| -1.4526 | RDKit | |
| Molar Refractivity | 55.50250000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 257.10282399 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
Convert
Quick conversion
MW = 257.22 g/mol. Edit any field — others recompute live.
