L-Erythro-β-Phenylserine - CAS 32946-42-2
Catalog: |
BB066176 |
Product Name: |
L-Erythro-β-Phenylserine |
CAS: |
32946-42-2 |
Synonyms: |
(2S,3S)-2-amino-3-hydroxy-3-phenylpropanoic acid; Erythro-3-phenylserine; Phenylserine, erythro-; (betaS)-beta-hydroxy-L-phenylalanine; (2S,3S)-2-amino-3-hydroxy-3-phenyl-propanoic acid; L-threo-3-Phenylserine; L-threo-beta-phenylserine |
IUPAC Name: | (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoic acid |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C(C(C(=O)O)N)O |
InChI: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1 |
InChI Key: | VHVGNTVUSQUXPS-YUMQZZPRSA-N |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.5 |
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