gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol

C6H12AuO5S — CID 88799890

IUPACgold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O.[Au]
InChIInChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/t2-,3-,4+,5-,6+;/m1./s1
InChIKeyRZFZJRIQKXLYCP-WNFIKIDCSA-N
MW393.19 g/mol
LogP-2.29
Rot. Bonds1

About gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol

gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol (PubChem CID 88799890) has the molecular formula C6H12AuO5S and a molecular weight of 393.19 g/mol. Its IUPAC name is gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Namegold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
PubChem CID88799890
Molecular FormulaC6H12AuO5S
Molecular Weight393.19 g/mol
Exact Mass393.01
IUPAC Namegold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O.[Au]
InChIInChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/t2-,3-,4+,5-,6+;/m1./s1
InChIKeyRZFZJRIQKXLYCP-WNFIKIDCSA-N
XLogP-2.29
TPSA90.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 23397976
(2S,3S,4R,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 87274614
alpha-D-Glucopyranose, 1-thio-, sodium salt (1:1)
CID 131882251
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2-((18F)fluoromethyl)-6-sulfanyloxane-3,4,5-triol
CID 59184393
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;(2R,3R,4S,5R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 118356528
(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
CID 130967285
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol?
The IUPAC name of gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol (CID 88799890) is gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol.
What is the SMILES notation for gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol?
The canonical SMILES for gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol is OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O.[Au].
What is the InChIKey of gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol?
The InChIKey is RZFZJRIQKXLYCP-WNFIKIDCSA-N. The full InChI is InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/t2-,3-,4+,5-,6+;/m1./s1.
What are the key properties of gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol?
gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol has a molecular weight of 393.19 g/mol, XLogP of -2.29, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol is sourced from PubChem (CID 88799890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).