CID 161312529

C5H8BFO3 — CID 161312529

IUPAC—
SMILES[B][C@@H]1OC(CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2?,3-,4+,5+/m0/s1
InChIKeyIHRCXWBHBBZJDG-LQXMCGDCSA-N
MW145.93 g/mol
LogP-1.43
Rot. Bonds1

About CID 161312529

CID 161312529 (PubChem CID 161312529) has the molecular formula C5H8BFO3 and a molecular weight of 145.93 g/mol.

Molecular Properties

Compound NameCID 161312529
PubChem CID161312529
Molecular FormulaC5H8BFO3
Molecular Weight145.93 g/mol
Exact Mass146.06
IUPAC Name—
SMILES[B][C@@H]1OC(CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2?,3-,4+,5+/m0/s1
InChIKeyIHRCXWBHBBZJDG-LQXMCGDCSA-N
XLogP-1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.93
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3R,4R,5S)-5-amino-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
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(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
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CID 140772721
CID 140772721
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
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(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
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Frequently Asked Questions

What is the IUPAC name of CID 161312529?
The IUPAC name of CID 161312529 (CID 161312529) is not available.
What is the SMILES notation for CID 161312529?
The canonical SMILES for CID 161312529 is [B][C@@H]1OC(CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of CID 161312529?
The InChIKey is IHRCXWBHBBZJDG-LQXMCGDCSA-N. The full InChI is InChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2?,3-,4+,5+/m0/s1.
What are the key properties of CID 161312529?
CID 161312529 has a molecular weight of 145.93 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161312529 is sourced from PubChem (CID 161312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).