CID 6327951

C8H17O5SbSe — CID 6327951

IUPAC—
SMILESC[Sb]C.OCC1OC([Se])C(O)C(O)C1O
InChIInChI=1S/C6H11O5Se.2CH3.Sb/c7-1-2-3(8)4(9)5(10)6(12)11-2;;;/h2-10H,1H2;2*1H3;
InChIKeyUBWYUHIQOBRCSC-UHFFFAOYSA-N
MW393.94 g/mol
LogP-2.26
Rot. Bonds1

About CID 6327951

CID 6327951 (PubChem CID 6327951) has the molecular formula C8H17O5SbSe and a molecular weight of 393.94 g/mol.

Molecular Properties

Compound NameCID 6327951
PubChem CID6327951
Molecular FormulaC8H17O5SbSe
Molecular Weight393.94 g/mol
Exact Mass393.93
IUPAC Name—
SMILESC[Sb]C.OCC1OC([Se])C(O)C(O)C1O
InChIInChI=1S/C6H11O5Se.2CH3.Sb/c7-1-2-3(8)4(9)5(10)6(12)11-2;;;/h2-10H,1H2;2*1H3;
InChIKeyUBWYUHIQOBRCSC-UHFFFAOYSA-N
XLogP-2.26
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
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CID 130395874
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
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Frequently Asked Questions

What is the IUPAC name of CID 6327951?
The IUPAC name of CID 6327951 (CID 6327951) is not available.
What is the SMILES notation for CID 6327951?
The canonical SMILES for CID 6327951 is C[Sb]C.OCC1OC([Se])C(O)C(O)C1O.
What is the InChIKey of CID 6327951?
The InChIKey is UBWYUHIQOBRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5Se.2CH3.Sb/c7-1-2-3(8)4(9)5(10)6(12)11-2;;;/h2-10H,1H2;2*1H3;.
What are the key properties of CID 6327951?
CID 6327951 has a molecular weight of 393.94 g/mol, XLogP of -2.26, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6327951 is sourced from PubChem (CID 6327951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).