sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid

C7H15NaO5S — CID 174494708

IUPACsodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid
SMILESC=CCOC(C)C(O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H14O5S.Na.H/c1-3-4-12-6(2)7(8)5-13(9,10)11;;/h3,6-8H,1,4-5H2,2H3,(H,9,10,11);;/q;+1;-1
InChIKeyZZPXPVZCMXDBGP-UHFFFAOYSA-N
MW234.25 g/mol
LogP-3.06
Rot. Bonds6

About sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid

sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid (PubChem CID 174494708) has the molecular formula C7H15NaO5S and a molecular weight of 234.25 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid
PubChem CID174494708
Molecular FormulaC7H15NaO5S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Namesodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid
SMILESC=CCOC(C)C(O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H14O5S.Na.H/c1-3-4-12-6(2)7(8)5-13(9,10)11;;/h3,6-8H,1,4-5H2,2H3,(H,9,10,11);;/q;+1;-1
InChIKeyZZPXPVZCMXDBGP-UHFFFAOYSA-N
XLogP-3.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoxybutane-1,2-diol
CID 14859753
1-hydroxy-1-prop-2-enoxypropane-2-sulfonic acid
CID 91002893
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
2-hydroxy-1-prop-2-enoxybutane-1-sulfonic acid
CID 174367736
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
CID 87204647
CID 87204647
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
sodium 2-methyl-3-sulfopropan-1-olate
CID 141285329
sodium 3-hydroxy-3-prop-2-enoxypropane-1-sulfonate
CID 87510580
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
prop-2-enyl (3R)-3-hydroxy-4-methylpentanoate
CID 11073867

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid?
The IUPAC name of sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid (CID 174494708) is sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid is C=CCOC(C)C(O)CS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid?
The InChIKey is ZZPXPVZCMXDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S.Na.H/c1-3-4-12-6(2)7(8)5-13(9,10)11;;/h3,6-8H,1,4-5H2,2H3,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid?
sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid has a molecular weight of 234.25 g/mol, XLogP of -3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid is sourced from PubChem (CID 174494708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).