Aspartic acid (data page)

Aspartic acid (data page)

OrganicBox complete
wiki_name=Aspartic acid
name=(2S)-2-aminobutanedioic acid
= GENERAL INFORMATION =

C=4 |H=7 |N=1 |O=4
mass=133.102
abbreviation=


synonyms=AIDS{-}001654
AIDS001654
{(α/2)/(DL)}-aminosuccinic acid
(DL)-Asparagic acid
(DL)-Asparaginic acid
Aspartate
{(+-)/(DL)/(RS)}-Aspartic acid
CHEBI:22660
CHEMBANK2882
CPD-302
NSC141379
NSC167399
NSC3973
NSC620336
NSC79553
NSC97922
Spartase

= DATABASES =

SMILES= D - C( [C@H] (C(=O)O)N)C(=O)O; L - C( [C@@H] (C(=O)O)N)C(=O)O;
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/f/h6,8H
CAS= [56-84-8]
DrugBank=
EINECS=200-291-6
PubChem=
83887 (D)ref_N|2|a , 5960 (L)ref_N|3|a
= PHYSICAL PROPERTIES =

--------------- Structure -------------
index_of_refraction=
abbe_number=
dielectric_constant=
magnetic_susceptibility=
dipole_moment=
------------- U-V data --------------
lambda_max=
extinction_coefficient=
------------- Infrared data --------------
absorption_bands=
------------- NMR data --------------
proton_NMR=
carbon_NMR=
other_NMR=
------------- Spectrometry data --------------
mass_spectrometry=
-------- Phase behaviour -------
delta_fus_H_o=
delta_fus_S_o=
delta_vap_H_o=
delta_vap_S_o=
triple_point_K=
triple_point_C=
triple_point_Pa=
criticle_point_K=
criticle_point_C=
criticle_point_Pa=
------- Solid properties -------
delta_f_H_o_solid=
S_o_solid=
heat_capacity_solid=
density_solid=1.66
melting_point_C=270-271
melting_point_F=
melting_point_K=
------- Liquid properties -------
delta_f_H_o_liquid=
S_o_liquid=
heat_capacity_liquid=
density_liquid=
viscosity_liquid=
boiling_point_C=
boiling_point_F=
boiling_point_K=
------------- Gas properties --------------
delta_f_H_o_gas=
S_o_gas=
heat_capacity_gas=
viscosity_gas=
= HAZARD PROPERTIES =

MSDS=
main_hazards=
nfpa_health=
nfpa_flammability=
nfpa_reactivity=
nfpa_special=
flash_point=
r_phrases=
s_phrases=
RTECS_number=
= CHEMICAL PROPERTIES =

XLogP=-3.236
isoelectric_point=2.77
disociation_constant=1.95; 3.71; 9.66
tautomers=
H_bond_donor=3
H_bond_acceptor=5
= PHARMACOLOGICAL PROPERTIES =

References

#note_N|1|a PubChemLink|424 — racemic
#note_N|2|a PubChemLink|83887 — (D-aspartic acid)
#note_N|3|a PubChemLink|5960 — (L-aspartic acid)
#note_N|4|a PubChemLink|450566 — C(C(C(=O)O)N) [11C] (=O)O
#note_N|5|a PubChemLink|450604 — C(C(C(=O)O) [13NH2] )C(=O)O


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