CID 18598956

C6H11O5Se — CID 18598956

IUPAC—
SMILESOC[C@H]1OC([Se])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11O5Se/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChIKeyWPJPMUKFPFCGBU-SVZMEOIVSA-N
MW242.11 g/mol
LogP-3.05
Rot. Bonds1

About CID 18598956

CID 18598956 (PubChem CID 18598956) has the molecular formula C6H11O5Se and a molecular weight of 242.11 g/mol.

Molecular Properties

Compound NameCID 18598956
PubChem CID18598956
Molecular FormulaC6H11O5Se
Molecular Weight242.11 g/mol
Exact Mass242.98
IUPAC Name—
SMILESOC[C@H]1OC([Se])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11O5Se/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChIKeyWPJPMUKFPFCGBU-SVZMEOIVSA-N
XLogP-3.05
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 5-3.05
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,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
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CID 130395874
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
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(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
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(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
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Frequently Asked Questions

What is the IUPAC name of CID 18598956?
The IUPAC name of CID 18598956 (CID 18598956) is not available.
What is the SMILES notation for CID 18598956?
The canonical SMILES for CID 18598956 is OC[C@H]1OC([Se])[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of CID 18598956?
The InChIKey is WPJPMUKFPFCGBU-SVZMEOIVSA-N. The full InChI is InChI=1S/C6H11O5Se/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10H,1H2/t2-,3+,4+,5-,6?/m1/s1.
What are the key properties of CID 18598956?
CID 18598956 has a molecular weight of 242.11 g/mol, XLogP of -3.05, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18598956 is sourced from PubChem (CID 18598956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).