CID 147807924

C6H11BO3 — CID 147807924

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C
InChIInChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyNVIWXPBPUGGQMD-BGPJRJDNSA-N
MW141.96 g/mol
LogP-1.13
Rot. Bonds1

About CID 147807924

CID 147807924 (PubChem CID 147807924) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 147807924
PubChem CID147807924
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C
InChIInChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyNVIWXPBPUGGQMD-BGPJRJDNSA-N
XLogP-1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-1.13
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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(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
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CID 130395874
CID 161312529
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CID 23401540
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(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
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2,6-bis(hydroxymethyl)oxane-3,4,5-triol
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(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
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Frequently Asked Questions

What is the IUPAC name of CID 147807924?
The IUPAC name of CID 147807924 (CID 147807924) is not available.
What is the SMILES notation for CID 147807924?
The canonical SMILES for CID 147807924 is [B][C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C.
What is the InChIKey of CID 147807924?
The InChIKey is NVIWXPBPUGGQMD-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1.
What are the key properties of CID 147807924?
CID 147807924 has a molecular weight of 141.96 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147807924 is sourced from PubChem (CID 147807924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).