CID 59914550

C5H9BO3 — CID 59914550

IUPAC—
SMILES[B][C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H9BO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyLAHNHABTYBWIBB-UOWFLXDJSA-N
MW127.94 g/mol
LogP-1.38
Rot. Bonds1

About CID 59914550

CID 59914550 (PubChem CID 59914550) has the molecular formula C5H9BO3 and a molecular weight of 127.94 g/mol.

Molecular Properties

Compound NameCID 59914550
PubChem CID59914550
Molecular FormulaC5H9BO3
Molecular Weight127.94 g/mol
Exact Mass128.06
IUPAC Name—
SMILES[B][C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H9BO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyLAHNHABTYBWIBB-UOWFLXDJSA-N
XLogP-1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.94
LogP ≤ 5-1.38
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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CID 59996261
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CID 59968610
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
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(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
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(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
CID 123868889
CID 159003183
CID 159003183

Frequently Asked Questions

What is the IUPAC name of CID 59914550?
The IUPAC name of CID 59914550 (CID 59914550) is not available.
What is the SMILES notation for CID 59914550?
The canonical SMILES for CID 59914550 is [B][C@H]1C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of CID 59914550?
The InChIKey is LAHNHABTYBWIBB-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H9BO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of CID 59914550?
CID 59914550 has a molecular weight of 127.94 g/mol, XLogP of -1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59914550 is sourced from PubChem (CID 59914550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).