CAS 407-41-0|(2S)-2-amino-3-(phosphonooxy)propanoic acid|phosphonoserine|Phosphonoserine|phosphoserine|L-丝氨酸O-磷酸|L-SOP|L-2-Amino-3-hydroxypropanoic acid 3-phosphate|O-PHOSPHO-L-SERINE|L-Serine ...

General Information

Structure

Molecular Formula

C₃H₈NO₆P

Molecular Mass

185.072481

Exact Mass

185.00892361

Charge

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

InChIKey

BZQFBWGGLXLEPQ-REOHCLBHSA-N

Canonic Smiles

OC(=O)[C@H](COP(=O)(O)O)N

Isomeric Smiles

N[C@@H](COP(=O)(O)O)C(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-7.31

LogD (pH = 5.5)

-5.87

Log P

-3.03

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.26

Polar Surface Area

130.08

Polarizability

13.94

Molar Refractivity

32.91

LOG S

1.24

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(2S)-2-amino-3-(phosphonooxy)propanoic acid

IUPAC Traditional name

phosphonoserine phosphoserine

Synonyms

PhosphonoserineL-丝氨酸O-磷酸L-SOPL-2-Amino-3-hydroxypropanoic acid 3-phosphateO-PHOSPHO-L-SERINEL-Serine O-phosphateO-Phospho-L-serineO-磷酸-L-丝氨酸L-2-氨基-3-羟基丙酸3-磷酸PhosphoserineO-Phospho-L-serine(2S)-2-amino-3-(phosphonooxy)propanoic acidphosphoserine(+)-L-serine dihydrogen phosphate (ester)DexfosfoserineO-phospho-L-serine3-Phosphoserine(S)-2-amino-3-hydroxypropanoic acid 3-phosphateL-O-PhosphoserineO-phosphoserine

Molecule

ID:4093