sodium (3R)-3,5-dihydroxy-3-methylpentanoate

C6H11NaO4 — CID 71311618

IUPACsodium (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C6H12O4.Na/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
InChIKeyRIYNLCMADQUBEM-FYZOBXCZSA-M
MW170.14 g/mol
LogP-4.74
Rot. Bonds4

About sodium (3R)-3,5-dihydroxy-3-methylpentanoate

sodium (3R)-3,5-dihydroxy-3-methylpentanoate (PubChem CID 71311618) has the molecular formula C6H11NaO4 and a molecular weight of 170.14 g/mol. Its IUPAC name is sodium (3R)-3,5-dihydroxy-3-methylpentanoate.

Molecular Properties

Compound Namesodium (3R)-3,5-dihydroxy-3-methylpentanoate
PubChem CID71311618
Molecular FormulaC6H11NaO4
Molecular Weight170.14 g/mol
Exact Mass170.06
IUPAC Namesodium (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C6H12O4.Na/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
InChIKeyRIYNLCMADQUBEM-FYZOBXCZSA-M
XLogP-4.74
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-4.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium (3R)-3,5-dihydroxy-3-methylpentanoate?
The IUPAC name of sodium (3R)-3,5-dihydroxy-3-methylpentanoate (CID 71311618) is sodium (3R)-3,5-dihydroxy-3-methylpentanoate.
What is the SMILES notation for sodium (3R)-3,5-dihydroxy-3-methylpentanoate?
The canonical SMILES for sodium (3R)-3,5-dihydroxy-3-methylpentanoate is C[C@@](O)(CCO)CC(=O)[O-].[Na+].
What is the InChIKey of sodium (3R)-3,5-dihydroxy-3-methylpentanoate?
The InChIKey is RIYNLCMADQUBEM-FYZOBXCZSA-M. The full InChI is InChI=1S/C6H12O4.Na/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1.
What are the key properties of sodium (3R)-3,5-dihydroxy-3-methylpentanoate?
sodium (3R)-3,5-dihydroxy-3-methylpentanoate has a molecular weight of 170.14 g/mol, XLogP of -4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R)-3,5-dihydroxy-3-methylpentanoate is sourced from PubChem (CID 71311618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).