TA2

(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL

Created:2006-09-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count2
Bond Count24
Aromatic Bond Count6
2D diagram of TA2

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Chemical Component Summary

Name(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)(2~{R},3~{S})-3-azanyl-2-oxidanyl-3-phenyl-propanoic acid
FormulaC9 H11 N O3
Molecular Weight181.189
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC(O)C(N)c1ccccc1
SMILESCACTVS3.385N[CH]([CH](O)C(O)=O)c1ccccc1
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(C(C(=O)O)O)N
Canonical SMILESCACTVS3.385 N[C@H]([C@@H](O)C(O)=O)c1ccccc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N
InChIInChI1.06 InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyInChI1.06 RZARFIRJROUVLM-JGVFFNPUSA-N

Related Resource References

Resource NameReference
PubChem 7020762, 7020763