sodium;hydride;(3S)-3-hydroxybutanoic acid

C4H9NaO3 — CID 173289884

IUPACsodium;hydride;(3S)-3-hydroxybutanoic acid
SMILESC[C@H](O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H8O3.Na.H/c1-3(5)2-4(6)7;;/h3,5H,2H2,1H3,(H,6,7);;/q;+1;-1/t3-;;/m0../s1
InChIKeySZQGTXADEMZDSK-QTNFYWBSSA-N
MW128.10 g/mol
LogP-3.04
Rot. Bonds2

About sodium;hydride;(3S)-3-hydroxybutanoic acid

sodium;hydride;(3S)-3-hydroxybutanoic acid (PubChem CID 173289884) has the molecular formula C4H9NaO3 and a molecular weight of 128.10 g/mol. Its IUPAC name is sodium;hydride;(3S)-3-hydroxybutanoic acid.

Molecular Properties

Compound Namesodium;hydride;(3S)-3-hydroxybutanoic acid
PubChem CID173289884
Molecular FormulaC4H9NaO3
Molecular Weight128.10 g/mol
Exact Mass128.04
IUPAC Namesodium;hydride;(3S)-3-hydroxybutanoic acid
SMILESC[C@H](O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H8O3.Na.H/c1-3(5)2-4(6)7;;/h3,5H,2H2,1H3,(H,6,7);;/q;+1;-1/t3-;;/m0../s1
InChIKeySZQGTXADEMZDSK-QTNFYWBSSA-N
XLogP-3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-3.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 90459779
CID 90459779
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
CID 87534592
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
butanoic acid;3-hydroxybutanoic acid
CID 131984541
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
bicyclo[3.1.0]hexane;3-hydroxybutanoic acid
CID 18408223
3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
CID 175190112
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-methylbutanoic acid
CID 20849036

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(3S)-3-hydroxybutanoic acid?
The IUPAC name of sodium;hydride;(3S)-3-hydroxybutanoic acid (CID 173289884) is sodium;hydride;(3S)-3-hydroxybutanoic acid.
What is the SMILES notation for sodium;hydride;(3S)-3-hydroxybutanoic acid?
The canonical SMILES for sodium;hydride;(3S)-3-hydroxybutanoic acid is C[C@H](O)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(3S)-3-hydroxybutanoic acid?
The InChIKey is SZQGTXADEMZDSK-QTNFYWBSSA-N. The full InChI is InChI=1S/C4H8O3.Na.H/c1-3(5)2-4(6)7;;/h3,5H,2H2,1H3,(H,6,7);;/q;+1;-1/t3-;;/m0../s1.
What are the key properties of sodium;hydride;(3S)-3-hydroxybutanoic acid?
sodium;hydride;(3S)-3-hydroxybutanoic acid has a molecular weight of 128.10 g/mol, XLogP of -3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(3S)-3-hydroxybutanoic acid is sourced from PubChem (CID 173289884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).