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

C15H24CrN3O12 — CID 173162315

IUPACtris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
SMILESN[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]
InChIInChI=1S/3C5H9NO4.Cr/c3*6-3(5(9)10)1-2-4(7)8;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;;+3/p-3/t3*3-;/m000./s1
InChIKeyPRDIFZVGJUABIJ-ZRIQBPNSSA-K
MW490.36 g/mol
LogP-6.22
Rot. Bonds12

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

tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+) (PubChem CID 173162315) has the molecular formula C15H24CrN3O12 and a molecular weight of 490.36 g/mol. Its IUPAC name is tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+).

Molecular Properties

Compound Nametris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
PubChem CID173162315
Molecular FormulaC15H24CrN3O12
Molecular Weight490.36 g/mol
Exact Mass490.08
IUPAC Nametris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
SMILESN[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]
InChIInChI=1S/3C5H9NO4.Cr/c3*6-3(5(9)10)1-2-4(7)8;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;;+3/p-3/t3*3-;/m000./s1
InChIKeyPRDIFZVGJUABIJ-ZRIQBPNSSA-K
XLogP-6.22
TPSA310.35 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500490.36
LogP ≤ 5-6.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
CID 173366777
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
CID 173192312
disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
CID 131731808
magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
CID 163198340
diazanium;2-aminopentanedioate
CID 22497325
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611

Frequently Asked Questions

What is the IUPAC name of tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)?
The IUPAC name of tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+) (CID 173162315) is tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+).
What is the SMILES notation for tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)?
The canonical SMILES for tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+) is 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].
What is the InChIKey of tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)?
The InChIKey is PRDIFZVGJUABIJ-ZRIQBPNSSA-K. The full InChI is InChI=1S/3C5H9NO4.Cr/c3*6-3(5(9)10)1-2-4(7)8;/h3*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;;+3/p-3/t3*3-;/m000./s1.
What are the key properties of tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)?
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+) has a molecular weight of 490.36 g/mol, XLogP of -6.22, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+) is sourced from PubChem (CID 173162315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).