You need to sign in or sign up before continuing.
L-Threonine | SBID = 1387 | Compound |
Structure
Molecular Properties
Interactions: |
1
|
PubChem TPSA/Å2: |
83.6 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
-2.9 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
3.0 |
Number of H-Bond Acceptors: |
4.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
2.0 |
3D Volume/Å3: |
88.9 |
Sum Formula: |
C4H9NO3 |
M / g/mol: |
119.12 |
Complexity: |
93.0 |
Number of Conformers: |
9.0 |
Identifiers
-
Tags:
-
Name:
L-Threonine
-
Preferred Abbreviation:
L-Threonine
-
IUPAC Name:
(2S,3R)-2-amino-3-hydroxybutanoic acid
-
CAS:
72-19-5
-
CID:
6288
-
InChiKey:
AYFVYJQAPQTCCC-GBXIJSLDSA-N
-
InChi:
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
-
CanoSmiles:
CC(C(C(=O)O)N)O
-
IsoSmiles:
C[C@H]([C@@H](C(=O)O)N)O