CID 158296360

C5H10Na2O7S — CID 158296360

IUPAC—
SMILESO=C(O)CC(O)CCOS(=O)(=O)O.[Na].[Na]
InChIInChI=1S/C5H10O7S.2Na/c6-4(3-5(7)8)1-2-12-13(9,10)11;;/h4,6H,1-3H2,(H,7,8)(H,9,10,11);;
InChIKeyGIGWRYKDVZRXRH-UHFFFAOYSA-N
MW260.17 g/mol
LogP-1.73
Rot. Bonds6

About CID 158296360

CID 158296360 (PubChem CID 158296360) has the molecular formula C5H10Na2O7S and a molecular weight of 260.17 g/mol.

Molecular Properties

Compound NameCID 158296360
PubChem CID158296360
Molecular FormulaC5H10Na2O7S
Molecular Weight260.17 g/mol
Exact Mass259.99
IUPAC Name—
SMILESO=C(O)CC(O)CCOS(=O)(=O)O.[Na].[Na]
InChIInChI=1S/C5H10O7S.2Na/c6-4(3-5(7)8)1-2-12-13(9,10)11;;/h4,6H,1-3H2,(H,7,8)(H,9,10,11);;
InChIKeyGIGWRYKDVZRXRH-UHFFFAOYSA-N
XLogP-1.73
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-hydroxyhexanoic acid;methane
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(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
acetic acid;azane;iron;2-sulfooxyethyl hydrogen sulfate
CID 173464262
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
[1-(2,4-disulfooxybutyl)-3,5-disulfooxypentyl] hydrogen sulfate
CID 54422192
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxyoctanedioic acid
CID 22328017
5-(4-acetyloxybutanoyloxy)-3-hydroxypentanoic acid
CID 20821770
3-hydroxy-5-(4-methylsulfonylphenyl)pentanoic acid
CID 174954090
5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
CID 22389750

Frequently Asked Questions

What is the IUPAC name of CID 158296360?
The IUPAC name of CID 158296360 (CID 158296360) is not available.
What is the SMILES notation for CID 158296360?
The canonical SMILES for CID 158296360 is O=C(O)CC(O)CCOS(=O)(=O)O.[Na].[Na].
What is the InChIKey of CID 158296360?
The InChIKey is GIGWRYKDVZRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O7S.2Na/c6-4(3-5(7)8)1-2-12-13(9,10)11;;/h4,6H,1-3H2,(H,7,8)(H,9,10,11);;.
What are the key properties of CID 158296360?
CID 158296360 has a molecular weight of 260.17 g/mol, XLogP of -1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158296360 is sourced from PubChem (CID 158296360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).