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Molecule
O-Phospho-Dl-Serine
CAS: 17885-08-4 · C3H8NO6P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17885-08-4
- Molecular Formula
- C3H8NO6P
- Molecular Mass
- 185.07 g/mol
Identifiers
CAS Registry Number
17885-08-4
SMILES
NC(COP(=O)(O)O)C(=O)O
InChI Key
BZQFBWGGLXLEPQ-UHFFFAOYSA-N
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)
Names and Synonyms
- O-Phospho-Dl-Serine Synonym
- Serine, O-phosphono- Synonym
- Serine, dihydrogen phosphate (ester), DL- Synonym
- Serine, dihydrogen phosphate (ester) Synonym
- O-Phosphonoserine Synonym
- dl-O-Phosphoserine Synonym
- DL-O-Serine phosphate Synonym
- DL-Phosphoserine Synonym
- Energoserina Synonym
- Serophen Synonym
- DL-O-Phosphorylserine Synonym
- O-Phospho-DL-serine Synonym
- NSC 90791 Synonym
- 2-Amino-3-phosphonooxypropanoic acid Synonym
- 2-Amino-3-(phosphonooxy)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.07 g/mol | CAS Common Chemistry |
| 185.072 g/mol | RDKit | |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=BZQFBWGGLXLEPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166-167 °C | CAS Common Chemistry |
| Name | O-Phospho-DL-serine | 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 |
| 130.08 Ų | RDKit | |
| LogP | -1.4924000000000002 | RDKit |
| -1.4924 | RDKit | |
| Molar Refractivity | 33.607299999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 185.008923606 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 185.07 g/mol. Edit any field — others recompute live.
