sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid

C10H19NaO7S — CID 173284448

IUPACsodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid
SMILESCOC(=O)CCC(CCS(=O)(=O)O)CC(=O)OC.[H-].[Na+]
InChIInChI=1S/C10H18O7S.Na.H/c1-16-9(11)4-3-8(7-10(12)17-2)5-6-18(13,14)15;;/h8H,3-7H2,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyMFWIGAOHOPEBIV-UHFFFAOYSA-N
MW306.31 g/mol
LogP-2.49
Rot. Bonds8

About sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid

sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid (PubChem CID 173284448) has the molecular formula C10H19NaO7S and a molecular weight of 306.31 g/mol. Its IUPAC name is sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid
PubChem CID173284448
Molecular FormulaC10H19NaO7S
Molecular Weight306.31 g/mol
Exact Mass306.07
IUPAC Namesodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid
SMILESCOC(=O)CCC(CCS(=O)(=O)O)CC(=O)OC.[H-].[Na+]
InChIInChI=1S/C10H18O7S.Na.H/c1-16-9(11)4-3-8(7-10(12)17-2)5-6-18(13,14)15;;/h8H,3-7H2,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyMFWIGAOHOPEBIV-UHFFFAOYSA-N
XLogP-2.49
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;8-methoxy-8-oxooctane-1-sulfonic acid
CID 173039540
methyl (4R)-4-ethyl-6-hydroxyhexanoate
CID 118890197
dimethyl (3R)-3-fluorosulfonyloxyhexanedioate
CID 10221119
methyl 3-[2-(3-bromobutylsulfonyl)ethylsulfonyl]propanoate
CID 90185854
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-pentylnonanoate
CID 177137762
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
methyl (4S)-4-aminohexanoate
CID 130019319
dimethyl 4-nonylheptanedioate
CID 168749478

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid?
The IUPAC name of sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid (CID 173284448) is sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid is COC(=O)CCC(CCS(=O)(=O)O)CC(=O)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid?
The InChIKey is MFWIGAOHOPEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7S.Na.H/c1-16-9(11)4-3-8(7-10(12)17-2)5-6-18(13,14)15;;/h8H,3-7H2,1-2H3,(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid?
sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid has a molecular weight of 306.31 g/mol, XLogP of -2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid is sourced from PubChem (CID 173284448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).