CID 88745910

C4H6BO6 — CID 88745910

IUPAC—
SMILESO=C(O)C(O)C(O)C(=O)O.[B]
InChIInChI=1S/C4H6O6.B/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);
InChIKeyDJXWFXKXKSNSMB-UHFFFAOYSA-N
MW160.90 g/mol
LogP-2.50
Rot. Bonds3

About CID 88745910

CID 88745910 (PubChem CID 88745910) has the molecular formula C4H6BO6 and a molecular weight of 160.90 g/mol.

Molecular Properties

Compound NameCID 88745910
PubChem CID88745910
Molecular FormulaC4H6BO6
Molecular Weight160.90 g/mol
Exact Mass161.03
IUPAC Name—
SMILESO=C(O)C(O)C(O)C(=O)O.[B]
InChIInChI=1S/C4H6O6.B/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);
InChIKeyDJXWFXKXKSNSMB-UHFFFAOYSA-N
XLogP-2.50
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.90
LogP ≤ 5-2.50
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 175721627
CID 175721627
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 88745910?
The IUPAC name of CID 88745910 (CID 88745910) is not available.
What is the SMILES notation for CID 88745910?
The canonical SMILES for CID 88745910 is O=C(O)C(O)C(O)C(=O)O.[B].
What is the InChIKey of CID 88745910?
The InChIKey is DJXWFXKXKSNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.B/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 88745910?
CID 88745910 has a molecular weight of 160.90 g/mol, XLogP of -2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88745910 is sourced from PubChem (CID 88745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).