sodium;boric acid;cyclopropane-1,1,2-triol;hydride

C3H10BNaO6 — CID 175177943

IUPACsodium;boric acid;cyclopropane-1,1,2-triol;hydride
SMILESOB(O)O.OC1CC1(O)O.[H-].[Na+]
InChIInChI=1S/C3H6O3.BH3O3.Na.H/c4-2-1-3(2,5)6;2-1(3)4;;/h2,4-6H,1H2;2-4H;;/q;;+1;-1
InChIKeyYHFZPWBLCGAQKM-UHFFFAOYSA-N
MW175.91 g/mol
LogP-6.50
Rot. Bonds

About sodium;boric acid;cyclopropane-1,1,2-triol;hydride

sodium;boric acid;cyclopropane-1,1,2-triol;hydride (PubChem CID 175177943) has the molecular formula C3H10BNaO6 and a molecular weight of 175.91 g/mol. Its IUPAC name is sodium;boric acid;cyclopropane-1,1,2-triol;hydride.

Molecular Properties

Compound Namesodium;boric acid;cyclopropane-1,1,2-triol;hydride
PubChem CID175177943
Molecular FormulaC3H10BNaO6
Molecular Weight175.91 g/mol
Exact Mass176.05
IUPAC Namesodium;boric acid;cyclopropane-1,1,2-triol;hydride
SMILESOB(O)O.OC1CC1(O)O.[H-].[Na+]
InChIInChI=1S/C3H6O3.BH3O3.Na.H/c4-2-1-3(2,5)6;2-1(3)4;;/h2,4-6H,1H2;2-4H;;/q;;+1;-1
InChIKeyYHFZPWBLCGAQKM-UHFFFAOYSA-N
XLogP-6.50
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500175.91
LogP ≤ 5-6.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;boric acid;cyclopropane-1,1,2-triol;hydride?
The IUPAC name of sodium;boric acid;cyclopropane-1,1,2-triol;hydride (CID 175177943) is sodium;boric acid;cyclopropane-1,1,2-triol;hydride.
What is the SMILES notation for sodium;boric acid;cyclopropane-1,1,2-triol;hydride?
The canonical SMILES for sodium;boric acid;cyclopropane-1,1,2-triol;hydride is OB(O)O.OC1CC1(O)O.[H-].[Na+].
What is the InChIKey of sodium;boric acid;cyclopropane-1,1,2-triol;hydride?
The InChIKey is YHFZPWBLCGAQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.BH3O3.Na.H/c4-2-1-3(2,5)6;2-1(3)4;;/h2,4-6H,1H2;2-4H;;/q;;+1;-1.
What are the key properties of sodium;boric acid;cyclopropane-1,1,2-triol;hydride?
sodium;boric acid;cyclopropane-1,1,2-triol;hydride has a molecular weight of 175.91 g/mol, XLogP of -6.50, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boric acid;cyclopropane-1,1,2-triol;hydride is sourced from PubChem (CID 175177943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).