CID 90129061

C6H11BO3 — CID 90129061

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-/m1/s1
InChIKeyNVIWXPBPUGGQMD-KVTDHHQDSA-N
MW141.96 g/mol
LogP-1.13
Rot. Bonds1

About CID 90129061

CID 90129061 (PubChem CID 90129061) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 90129061
PubChem CID90129061
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-/m1/s1
InChIKeyNVIWXPBPUGGQMD-KVTDHHQDSA-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
CID 4670797
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
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Frequently Asked Questions

What is the IUPAC name of CID 90129061?
The IUPAC name of CID 90129061 (CID 90129061) is not available.
What is the SMILES notation for CID 90129061?
The canonical SMILES for CID 90129061 is [B][C@@H]1O[C@H](CO)[C@H](O)[C@H]1C.
What is the InChIKey of CID 90129061?
The InChIKey is NVIWXPBPUGGQMD-KVTDHHQDSA-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-/m1/s1.
What are the key properties of CID 90129061?
CID 90129061 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 90129061 is sourced from PubChem (CID 90129061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).