sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate

C4H6NNaO4 — CID 141437494

IUPACsodium (2S,3R)-3-hydroxy-2-nitrosobutanoate
SMILESC[C@@H](O)[C@H](N=O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-2(6)3(5-9)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1/t2-,3+;/m1./s1
InChIKeyCKHRXBZLCHVXNL-MUWMCQJSSA-M
MW155.08 g/mol
LogP-4.74
Rot. Bonds3

About sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate

sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate (PubChem CID 141437494) has the molecular formula C4H6NNaO4 and a molecular weight of 155.08 g/mol. Its IUPAC name is sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate.

Molecular Properties

Compound Namesodium (2S,3R)-3-hydroxy-2-nitrosobutanoate
PubChem CID141437494
Molecular FormulaC4H6NNaO4
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Namesodium (2S,3R)-3-hydroxy-2-nitrosobutanoate
SMILESC[C@@H](O)[C@H](N=O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO4.Na/c1-2(6)3(5-9)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1/t2-,3+;/m1./s1
InChIKeyCKHRXBZLCHVXNL-MUWMCQJSSA-M
XLogP-4.74
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-4.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate?
The IUPAC name of sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate (CID 141437494) is sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate.
What is the SMILES notation for sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate?
The canonical SMILES for sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate is C[C@@H](O)[C@H](N=O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate?
The InChIKey is CKHRXBZLCHVXNL-MUWMCQJSSA-M. The full InChI is InChI=1S/C4H7NO4.Na/c1-2(6)3(5-9)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1/t2-,3+;/m1./s1.
What are the key properties of sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate?
sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate has a molecular weight of 155.08 g/mol, XLogP of -4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate is sourced from PubChem (CID 141437494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).