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Phosphoserine
CAS: 407-41-0 | C3H8NO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
407-41-0
Molecular Formula:
C3H8NO6P
Molecular Mass:
185.07 g/mol
Names and Synonyms:
Phosphoserine
L-Serine, O-phosphono-
Serine, dihydrogen phosphate (ester), L-
L-Serine, dihydrogen phosphate (ester)
Serine phosphate, L-
O-Phosphono-L-serine
O-Phosphorylserine
L-Seryl phosphate
3-O-Phosphoserine
L-Phosphoserine
O-Phospho-L-serine
Serine O-phosphate
L-O-Serine phosphate
O-Phosphoryl-L-serine
Fosforina
L-Serinephosphoric acid
Serine dihydrogen phosphate (ester)
L-O-Phosphoserine
Phospho-L-serine
Dexfosfoserine
L-3-Phosphoserine
Seriphos
(S)-2-Amino-3-(phosphonooxy)propanoic acid
(2S)-2-Azaniumyl-3-phosphonooxypropanoate
(2S)-2-Amino-3-(phosphonooxy)propanoic acid
Identifiers:
SMILES:
N[C@@H](COP(=O)(O)O)C(=O)O
InChI:
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
Key Properties
Melting Point
166 °C (decomp)
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 | 185.07 g/mol | CAS Common Chemistry |
| 185.072 g/mol | RDKit | |
| 185.008923606 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphoserine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)COP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BZQFBWGGLXLEPQ-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 166 °C (decomp) | CAS Common Chemistry |
| Name | Phospho-L-serine | CAS Common Chemistry |
| Phosphoserine | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 130.07999999999998 Ų | RDKit |
| LogP | -1.4924000000000002 | RDKit |
| Molar Refractivity | 33.607299999999995 | RDKit |
