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Sn-Glycero-3-Phosphocholine
CAS: 28319-77-9 | C8H20NO6P
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
28319-77-9
Molecular Formula:
C8H20NO6P
Molecular Mass:
257.22 g/mol
Names and Synonyms:
Sn-Glycero-3-Phosphocholine
Ethanaminium, 2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
Choline, hydroxide, 2,3-dihydroxypropyl hydrogen phosphate, inner salt, D-
Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, (R)-
O-(sn-glycero-3-Phosphoryl)-choline
Glycerophosphorylcholine
sn-glycero-3-Phosphorylcholine
sn-glycero-3-Phosphorylcholine
L-α-Glycerophosphorylcholine
L-α-Glycerylphosphorylcholine
Glycerophosphocholine
L-α-Glycerophosphocholine
Choline alfoscerate
Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt, (R)-
Gliatilin
Delecit
Brezal
L-α-GPC
Glycerol 3-phosphocholine
Glycerol 3-phosphorylcholine
Glycerophosphoric acid choline ester
α-Glycerophosphorylcholine
Glycerylphosphocholine
α-Glycerylphosphorylcholine
Glyceryl 3-phosphorylcholine
Glycerylphosphorylcholine
sn-glycero-3-Phosphocholine
Cholitiline
Cholicerin
Cereton
Choline alphoscerate
Glycerol phosphorylcholine
Nichiyu GPC 85R
Identifiers:
SMILES:
C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
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
Key Properties
Melting Point
142.5 °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 | 257.22 g/mol | CAS Common Chemistry |
| 257.22299999999996 g/mol | RDKit | |
| 257.10282399 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 |
| LogP | -1.452599999999998 | RDKit |
| Molar Refractivity | 55.50250000000004 | RDKit |
