sodium;diformyl 2-methoxybutanedioate;hydride

C7H9NaO7 — CID 174360377

IUPACsodium;diformyl 2-methoxybutanedioate;hydride
SMILESCOC(CC(=O)OC=O)C(=O)OC=O.[H-].[Na+]
InChIInChI=1S/C7H8O7.Na.H/c1-12-5(7(11)14-4-9)2-6(10)13-3-8;;/h3-5H,2H2,1H3;;/q;+1;-1
InChIKeyHVSMYGPOQICIES-UHFFFAOYSA-N
MW228.13 g/mol
LogP-4.09
Rot. Bonds6

About sodium;diformyl 2-methoxybutanedioate;hydride

sodium;diformyl 2-methoxybutanedioate;hydride (PubChem CID 174360377) has the molecular formula C7H9NaO7 and a molecular weight of 228.13 g/mol. Its IUPAC name is sodium;diformyl 2-methoxybutanedioate;hydride.

Molecular Properties

Compound Namesodium;diformyl 2-methoxybutanedioate;hydride
PubChem CID174360377
Molecular FormulaC7H9NaO7
Molecular Weight228.13 g/mol
Exact Mass228.02
IUPAC Namesodium;diformyl 2-methoxybutanedioate;hydride
SMILESCOC(CC(=O)OC=O)C(=O)OC=O.[H-].[Na+]
InChIInChI=1S/C7H8O7.Na.H/c1-12-5(7(11)14-4-9)2-6(10)13-3-8;;/h3-5H,2H2,1H3;;/q;+1;-1
InChIKeyHVSMYGPOQICIES-UHFFFAOYSA-N
XLogP-4.09
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

trisodium;3-O-formyl 1-O-methyl propanedioate;hydride
CID 173454112
dipropan-2-yl 2-methoxybutanedioate
CID 139989231
sodium;formyl (2S)-2-amino-3-methylbutanoate;hydride
CID 174873015
formyl 2-formyl-4-oxopentanoate
CID 87602420
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
methyl (2S)-2-methoxy-4-oxobutanoate
CID 130736035
formyl (3S)-3-amino-4-(1-aminocyclopropyl)-4-oxobutanoate
CID 57316508
formyl 3,6-dihydroxyhex-4-enoate
CID 173098007
sodium;amino acetate;hydride;hydrochloride
CID 174988291
ethenyl 4-imino-2-methoxybutanoate
CID 163859415
diformyl pentanedioate
CID 57199083
calcium;sodium;formyl acetate;hydride
CID 173454549

Frequently Asked Questions

What is the IUPAC name of sodium;diformyl 2-methoxybutanedioate;hydride?
The IUPAC name of sodium;diformyl 2-methoxybutanedioate;hydride (CID 174360377) is sodium;diformyl 2-methoxybutanedioate;hydride.
What is the SMILES notation for sodium;diformyl 2-methoxybutanedioate;hydride?
The canonical SMILES for sodium;diformyl 2-methoxybutanedioate;hydride is COC(CC(=O)OC=O)C(=O)OC=O.[H-].[Na+].
What is the InChIKey of sodium;diformyl 2-methoxybutanedioate;hydride?
The InChIKey is HVSMYGPOQICIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7.Na.H/c1-12-5(7(11)14-4-9)2-6(10)13-3-8;;/h3-5H,2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;diformyl 2-methoxybutanedioate;hydride?
sodium;diformyl 2-methoxybutanedioate;hydride has a molecular weight of 228.13 g/mol, XLogP of -4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diformyl 2-methoxybutanedioate;hydride is sourced from PubChem (CID 174360377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).