Tartrate boronate

C4H8BO8 — CID 87729761

IUPAC—
SMILESO=C(O)C(O)C(O)C(=O)O.O[B]O
InChIInChI=1S/C4H6O6.BH2O2/c5-1(3(7)8)2(6)4(9)10;2-1-3/h1-2,5-6H,(H,7,8)(H,9,10);2-3H
InChIKeySOXRVKOWHRJNNE-UHFFFAOYSA-N
MW194.91 g/mol
LogP-3.62
Rot. Bonds3

About Tartrate boronate

Tartrate boronate (PubChem CID 87729761) has the molecular formula C4H8BO8 and a molecular weight of 194.91 g/mol.

Molecular Properties

Compound NameTartrate boronate
PubChem CID87729761
Molecular FormulaC4H8BO8
Molecular Weight194.91 g/mol
Exact Mass195.03
IUPAC Name—
SMILESO=C(O)C(O)C(O)C(=O)O.O[B]O
InChIInChI=1S/C4H6O6.BH2O2/c5-1(3(7)8)2(6)4(9)10;2-1-3/h1-2,5-6H,(H,7,8)(H,9,10);2-3H
InChIKeySOXRVKOWHRJNNE-UHFFFAOYSA-N
XLogP-3.62
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.91
LogP ≤ 5-3.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733

Frequently Asked Questions

What is the IUPAC name of Tartrate boronate?
The IUPAC name of Tartrate boronate (CID 87729761) is not available.
What is the SMILES notation for Tartrate boronate?
The canonical SMILES for Tartrate boronate is O=C(O)C(O)C(O)C(=O)O.O[B]O.
What is the InChIKey of Tartrate boronate?
The InChIKey is SOXRVKOWHRJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.BH2O2/c5-1(3(7)8)2(6)4(9)10;2-1-3/h1-2,5-6H,(H,7,8)(H,9,10);2-3H.
What are the key properties of Tartrate boronate?
Tartrate boronate has a molecular weight of 194.91 g/mol, XLogP of -3.62, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tartrate boronate is sourced from PubChem (CID 87729761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).