tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)

C27H30AuN3O9 — CID 173365455

IUPACtris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].[Au+3]
InChIInChI=1S/3C9H11NO3.Au/c3*10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h3*1-4,8,11H,5,10H2,(H,12,13);/q;;;+3/p-3/t3*8-;/m000./s1
InChIKeyPLGANKONPHBIBN-GJQOQBEKSA-K
MW737.52 g/mol
LogP-2.97
Rot. Bonds9

About tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)

tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+) (PubChem CID 173365455) has the molecular formula C27H30AuN3O9 and a molecular weight of 737.52 g/mol. Its IUPAC name is tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+).

Molecular Properties

Compound Nametris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
PubChem CID173365455
Molecular FormulaC27H30AuN3O9
Molecular Weight737.52 g/mol
Exact Mass737.16
IUPAC Nametris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].[Au+3]
InChIInChI=1S/3C9H11NO3.Au/c3*10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h3*1-4,8,11H,5,10H2,(H,12,13);/q;;;+3/p-3/t3*8-;/m000./s1
InChIKeyPLGANKONPHBIBN-GJQOQBEKSA-K
XLogP-2.97
TPSA259.14 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.52
LogP ≤ 5-2.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

2-amino-3-(4-hydroxyphenyl)propanoate;2-hydroxyethyl(trimethyl)azanium
CID 70307313
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
potassium 2-amino-3-phenylpropanoate
CID 23692488
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874

Frequently Asked Questions

What is the IUPAC name of tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)?
The IUPAC name of tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+) (CID 173365455) is tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+).
What is the SMILES notation for tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)?
The canonical SMILES for tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+) is N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].[Au+3].
What is the InChIKey of tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)?
The InChIKey is PLGANKONPHBIBN-GJQOQBEKSA-K. The full InChI is InChI=1S/3C9H11NO3.Au/c3*10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h3*1-4,8,11H,5,10H2,(H,12,13);/q;;;+3/p-3/t3*8-;/m000./s1.
What are the key properties of tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)?
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+) has a molecular weight of 737.52 g/mol, XLogP of -2.97, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+) is sourced from PubChem (CID 173365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).