CID 175692412

C6H12O6Se — CID 175692412

IUPAC—
SMILESO=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Se]
InChIInChI=1S/C6H12O6.Se/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;/t3-,4-,5+,6+;/m1./s1
InChIKeyKHZVPOZSUOHZHC-QAYODLCCSA-N
MW259.12 g/mol
LogP-3.76
Rot. Bonds5

About CID 175692412

CID 175692412 (PubChem CID 175692412) has the molecular formula C6H12O6Se and a molecular weight of 259.12 g/mol.

Molecular Properties

Compound NameCID 175692412
PubChem CID175692412
Molecular FormulaC6H12O6Se
Molecular Weight259.12 g/mol
Exact Mass259.98
IUPAC Name—
SMILESO=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Se]
InChIInChI=1S/C6H12O6.Se/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;/t3-,4-,5+,6+;/m1./s1
InChIKeyKHZVPOZSUOHZHC-QAYODLCCSA-N
XLogP-3.76
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 5-3.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of CID 175692412?
The IUPAC name of CID 175692412 (CID 175692412) is not available.
What is the SMILES notation for CID 175692412?
The canonical SMILES for CID 175692412 is O=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Se].
What is the InChIKey of CID 175692412?
The InChIKey is KHZVPOZSUOHZHC-QAYODLCCSA-N. The full InChI is InChI=1S/C6H12O6.Se/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;/t3-,4-,5+,6+;/m1./s1.
What are the key properties of CID 175692412?
CID 175692412 has a molecular weight of 259.12 g/mol, XLogP of -3.76, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175692412 is sourced from PubChem (CID 175692412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).