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4-Nitro-D-phenylalanine | SBID = 1942 | Compound |
Structure
Molecular Properties
Interactions: |
1
|
PubChem TPSA/Å2: |
109.0 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
-1.2 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
2.0 |
Number of H-Bond Acceptors: |
5.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
1.0 |
3D Volume/Å3: |
156.6 |
Sum Formula: |
C9H10N2O4 |
M / g/mol: |
210.19 |
Complexity: |
243.0 |
Number of Conformers: |
8.0 |
Identifiers
-
Tags:
aminoacid derivative
-
Name:
4-Nitro-D-phenylalanine
-
Preferred Abbreviation:
4-Nitro-D-phenylalanine
-
IUPAC Name:
(2R)-2-amino-3-(4-nitrophenyl)propanoic acid
-
CAS:
56613-61-7
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CID:
679497
-
InChiKey:
GTVVZTAFGPQSPC-MRVPVSSYSA-N
-
InChi:
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
-
CanoSmiles:
C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-]
-
IsoSmiles:
C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-]