CID 175721627

C4H6B2O6 — CID 175721627

IUPAC—
SMILESO=C(O)C(O)C(O)C(=O)O.[B].[B]
InChIInChI=1S/C4H6O6.2B/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;
InChIKeyZDJGIQQIOSUFSO-UHFFFAOYSA-N
MW171.71 g/mol
LogP-2.88
Rot. Bonds3

About CID 175721627

CID 175721627 (PubChem CID 175721627) has the molecular formula C4H6B2O6 and a molecular weight of 171.71 g/mol.

Molecular Properties

Compound NameCID 175721627
PubChem CID175721627
Molecular FormulaC4H6B2O6
Molecular Weight171.71 g/mol
Exact Mass172.04
IUPAC Name—
SMILESO=C(O)C(O)C(O)C(=O)O.[B].[B]
InChIInChI=1S/C4H6O6.2B/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;
InChIKeyZDJGIQQIOSUFSO-UHFFFAOYSA-N
XLogP-2.88
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.71
LogP ≤ 5-2.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446

Frequently Asked Questions

What is the IUPAC name of CID 175721627?
The IUPAC name of CID 175721627 (CID 175721627) is not available.
What is the SMILES notation for CID 175721627?
The canonical SMILES for CID 175721627 is O=C(O)C(O)C(O)C(=O)O.[B].[B].
What is the InChIKey of CID 175721627?
The InChIKey is ZDJGIQQIOSUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.2B/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;.
What are the key properties of CID 175721627?
CID 175721627 has a molecular weight of 171.71 g/mol, XLogP of -2.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175721627 is sourced from PubChem (CID 175721627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).