gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid

C10H18AuO10S — CID 174820286

IUPACgold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid
SMILESO=C(O)CC(S)C(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Au]
InChIInChI=1S/C6H12O6.C4H6O4S.Au/c7-1-3(9)5(11)6(12)4(10)2-8;5-3(6)1-2(9)4(7)8;/h1,3-6,8-12H,2H2;2,9H,1H2,(H,5,6)(H,7,8);
InChIKeyWXQHWGSQBUDMPW-UHFFFAOYSA-N
MW527.28 g/mol
LogP-3.54
Rot. Bonds8

About gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid

gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid (PubChem CID 174820286) has the molecular formula C10H18AuO10S and a molecular weight of 527.28 g/mol. Its IUPAC name is gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid.

Molecular Properties

Compound Namegold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid
PubChem CID174820286
Molecular FormulaC10H18AuO10S
Molecular Weight527.28 g/mol
Exact Mass527.03
IUPAC Namegold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid
SMILESO=C(O)CC(S)C(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Au]
InChIInChI=1S/C6H12O6.C4H6O4S.Au/c7-1-3(9)5(11)6(12)4(10)2-8;5-3(6)1-2(9)4(7)8;/h1,3-6,8-12H,2H2;2,9H,1H2,(H,5,6)(H,7,8);
InChIKeyWXQHWGSQBUDMPW-UHFFFAOYSA-N
XLogP-3.54
TPSA192.82 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.28
LogP ≤ 5-3.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propanedioic acid
CID 157232037
2,3-dihydroxybutanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161465401
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 87378540
2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87367156
but-2-enedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 159896498
acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438

Frequently Asked Questions

What is the IUPAC name of gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid?
The IUPAC name of gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid (CID 174820286) is gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid.
What is the SMILES notation for gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid?
The canonical SMILES for gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid is O=C(O)CC(S)C(=O)O.O=CC(O)C(O)C(O)C(O)CO.[Au].
What is the InChIKey of gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid?
The InChIKey is WXQHWGSQBUDMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.C4H6O4S.Au/c7-1-3(9)5(11)6(12)4(10)2-8;5-3(6)1-2(9)4(7)8;/h1,3-6,8-12H,2H2;2,9H,1H2,(H,5,6)(H,7,8);.
What are the key properties of gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid?
gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid has a molecular weight of 527.28 g/mol, XLogP of -3.54, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid is sourced from PubChem (CID 174820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).