sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid

C4H7NaO3 — CID 175249214

IUPACsodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
SMILESC[C@H]1O[C@H]1C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O3.Na.H/c1-2-3(7-2)4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1/t2-,3-;;/m1../s1
InChIKeyONLBFHXXOAPAHR-MRWDTFSLSA-N
MW126.09 g/mol
LogP-3.03
Rot. Bonds1

About sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid

sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid (PubChem CID 175249214) has the molecular formula C4H7NaO3 and a molecular weight of 126.09 g/mol. Its IUPAC name is sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
PubChem CID175249214
Molecular FormulaC4H7NaO3
Molecular Weight126.09 g/mol
Exact Mass126.03
IUPAC Namesodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
SMILESC[C@H]1O[C@H]1C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O3.Na.H/c1-2-3(7-2)4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1/t2-,3-;;/m1../s1
InChIKeyONLBFHXXOAPAHR-MRWDTFSLSA-N
XLogP-3.03
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trisodium;hydride;oxirane-2,3-dicarboxylic acid
CID 175118143
2-tert-butyl-5-methyl-1,3-dioxolane-4-carboxylic acid
CID 582907
4-methyloxetane-2,3-dicarboxylic acid
CID 89315137
bis[(2R,3S)-3-methyloxiran-2-yl]methanone
CID 11804851
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
CID 173010882
CID 173010882
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
CID 153382641
2,4-dimethyloxetane-3-carboxylic acid
CID 168766151
(2S,3S,5R,6S)-3,5-dihydroxy-6-methyloxane-2-carboxylic acid
CID 167291493

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid?
The IUPAC name of sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid (CID 175249214) is sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid.
What is the SMILES notation for sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid?
The canonical SMILES for sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid is C[C@H]1O[C@H]1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid?
The InChIKey is ONLBFHXXOAPAHR-MRWDTFSLSA-N. The full InChI is InChI=1S/C4H6O3.Na.H/c1-2-3(7-2)4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1/t2-,3-;;/m1../s1.
What are the key properties of sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid?
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid has a molecular weight of 126.09 g/mol, XLogP of -3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid is sourced from PubChem (CID 175249214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).