gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial

C6H12AuO5S — CID 87532917

IUPACgold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=S.[Au]
InChIInChI=1S/C6H12O5S.Au/c7-1-3(8)5(10)6(11)4(9)2-12;/h2-11H,1H2;/t3-,4-,5-,6-;/m1./s1
InChIKeyMBUPOSHTJMTLLW-MVNLRXSJSA-N
MW393.19 g/mol
LogP-2.58
Rot. Bonds5

About gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial

gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial (PubChem CID 87532917) has the molecular formula C6H12AuO5S and a molecular weight of 393.19 g/mol. Its IUPAC name is gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial.

Molecular Properties

Compound Namegold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
PubChem CID87532917
Molecular FormulaC6H12AuO5S
Molecular Weight393.19 g/mol
Exact Mass393.01
IUPAC Namegold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=S.[Au]
InChIInChI=1S/C6H12O5S.Au/c7-1-3(8)5(10)6(11)4(9)2-12;/h2-11H,1H2;/t3-,4-,5-,6-;/m1./s1
InChIKeyMBUPOSHTJMTLLW-MVNLRXSJSA-N
XLogP-2.58
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrahydroxypentanethial
CID 18533987
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanetellural
CID 141136344
(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,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexan(18O)al
CID 165412528
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567

Frequently Asked Questions

What is the IUPAC name of gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial?
The IUPAC name of gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial (CID 87532917) is gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial.
What is the SMILES notation for gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial?
The canonical SMILES for gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial is OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=S.[Au].
What is the InChIKey of gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial?
The InChIKey is MBUPOSHTJMTLLW-MVNLRXSJSA-N. The full InChI is InChI=1S/C6H12O5S.Au/c7-1-3(8)5(10)6(11)4(9)2-12;/h2-11H,1H2;/t3-,4-,5-,6-;/m1./s1.
What are the key properties of gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial?
gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial has a molecular weight of 393.19 g/mol, XLogP of -2.58, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial is sourced from PubChem (CID 87532917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).