2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid

C4H6O6S4 — CID 21467021

IUPAC2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)SSSSC(O)C(=O)O
InChIInChI=1S/C4H6O6S4/c5-1(6)3(9)11-13-14-12-4(10)2(7)8/h3-4,9-10H,(H,5,6)(H,7,8)
InChIKeyYMZFGVRRIGRRNR-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.47
Rot. Bonds7

About 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid

2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid (PubChem CID 21467021) has the molecular formula C4H6O6S4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid
PubChem CID21467021
Molecular FormulaC4H6O6S4
Molecular Weight278.35 g/mol
Exact Mass277.90
IUPAC Name2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)SSSSC(O)C(=O)O
InChIInChI=1S/C4H6O6S4/c5-1(6)3(9)11-13-14-12-4(10)2(7)8/h3-4,9-10H,(H,5,6)(H,7,8)
InChIKeyYMZFGVRRIGRRNR-UHFFFAOYSA-N
XLogP0.47
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid
CID 173002531
CID 172775345
CID 172775345
alumane;carboxy(trihydroxy)phosphanium
CID 174760708
2-ethylsulfonylsulfanyl-2-hydroxyacetic acid
CID 87784939
2-hydroxy-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetic acid
CID 175025424
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
2-hydroxypropanoic acid
CID 87075455
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910

Frequently Asked Questions

What is the IUPAC name of 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid (CID 21467021) is 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid is O=C(O)C(O)SSSSC(O)C(=O)O.
What is the InChIKey of 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid?
The InChIKey is YMZFGVRRIGRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6S4/c5-1(6)3(9)11-13-14-12-4(10)2(7)8/h3-4,9-10H,(H,5,6)(H,7,8).
What are the key properties of 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid?
2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid has a molecular weight of 278.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid is sourced from PubChem (CID 21467021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).