tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))

C27H42Cr2N6O24 — CID 173192312

IUPACtris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/3C5H9NO4.3C4H7NO4.2Cr/c3*6-3(5(9)10)1-2-4(7)8;3*5-2(4(8)9)1-3(6)7;;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);3*2H,1,5H2,(H,6,7)(H,8,9);;/q;;;;;;2*+3/p-6/t3*3-;3*2-;;/m000000../s1
InChIKeyRJGFNJNTQRORHJ-LJBDMWALSA-H
MW938.64 g/mol
LogP-13.60
Rot. Bonds21

About tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))

tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)) (PubChem CID 173192312) has the molecular formula C27H42Cr2N6O24 and a molecular weight of 938.64 g/mol. Its IUPAC name is tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)).

Molecular Properties

Compound Nametris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
PubChem CID173192312
Molecular FormulaC27H42Cr2N6O24
Molecular Weight938.64 g/mol
Exact Mass938.11
IUPAC Nametris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/3C5H9NO4.3C4H7NO4.2Cr/c3*6-3(5(9)10)1-2-4(7)8;3*5-2(4(8)9)1-3(6)7;;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);3*2H,1,5H2,(H,6,7)(H,8,9);;/q;;;;;;2*+3/p-6/t3*3-;3*2-;;/m000000../s1
InChIKeyRJGFNJNTQRORHJ-LJBDMWALSA-H
XLogP-13.60
TPSA620.70 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.64
LogP ≤ 5-13.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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Related Compounds

disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
CID 131731808
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
CID 173366777
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);bis(chromium(3+));triisothiocyanate
CID 173435867
magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
CID 163198340
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
copper (2S)-2-aminopentanedioate
CID 87093217
diazanium;2-aminopentanedioate
CID 22497325
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757

Frequently Asked Questions

What is the IUPAC name of tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))?
The IUPAC name of tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)) (CID 173192312) is tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)).
What is the SMILES notation for tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))?
The canonical SMILES for tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)) is N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Cr+3].[Cr+3].
What is the InChIKey of tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))?
The InChIKey is RJGFNJNTQRORHJ-LJBDMWALSA-H. The full InChI is InChI=1S/3C5H9NO4.3C4H7NO4.2Cr/c3*6-3(5(9)10)1-2-4(7)8;3*5-2(4(8)9)1-3(6)7;;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);3*2H,1,5H2,(H,6,7)(H,8,9);;/q;;;;;;2*+3/p-6/t3*3-;3*2-;;/m000000../s1.
What are the key properties of tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))?
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)) has a molecular weight of 938.64 g/mol, XLogP of -13.60, 21 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+)) is sourced from PubChem (CID 173192312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).