O-Phospho-DL-serine

C₃H₈NO₆PCAS 17885-08-4185.07 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphate Primary amine

Properties

Molecular formula: C₃H₈NO₆P
Molar mass: 185.07 g/mol
Exact mass: 185.0089 Da
Melting point: 166–167 °C
logP: -1.49Crippen estimate
Polar surface area: 130.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17885-08-4

SMILES

NC(COP(=O)(O)O)C(=O)O

InChIKey

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Serine, O-phosphono-
Serine, dihydrogen phosphate (ester), DL-
Serine, dihydrogen phosphate (ester)
O-Phosphonoserine
Dl-O-Phosphoserine
DL-O-Serine phosphate
DL-Phosphoserine
Energoserina
Serophen
DL-O-Phosphorylserine
NSC 90791
2-Amino-3-phosphonooxypropanoic acid
2-Amino-3-(phosphonooxy)propanoic acid

Work with O-Phospho-DL-serine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Phosphoserine407-41-0Defined stereoisomer

Similar compounds

Dl-O-methylserine19794-53-753 % similar (S)-2-Amino-3-methoxypropanoic acid32620-11-453 % similar 2-Amino-3-phosphonopropionic acid20263-06-351 % similar Phospho-L-tyrosine21820-51-951 % similar 2-Amino-4-phosphonobutanoic acid20263-07-450 % similar (2S)-2-Amino-4-phosphonobutanoic acid23052-81-550 % similar O-(1,1-Dimethylethyl)-D-serine18783-53-449 % similar O-(1,1-Dimethylethyl)-L-serine18822-58-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook