boric acid;tris(oxiran-2-amine)

C6H18BN3O6 — CID 173389482

IUPACboric acid;tris(oxiran-2-amine)
SMILESNC1CO1.NC1CO1.NC1CO1.OB(O)O
InChIInChI=1S/3C2H5NO.BH3O3/c3*3-2-1-4-2;2-1(3)4/h3*2H,1,3H2;2-4H
InChIKeyFIMNHGVZGQZRLS-UHFFFAOYSA-N
MW239.04 g/mol
LogP-4.15
Rot. Bonds

About boric acid;tris(oxiran-2-amine)

boric acid;tris(oxiran-2-amine) (PubChem CID 173389482) has the molecular formula C6H18BN3O6 and a molecular weight of 239.04 g/mol. Its IUPAC name is boric acid;tris(oxiran-2-amine).

Molecular Properties

Compound Nameboric acid;tris(oxiran-2-amine)
PubChem CID173389482
Molecular FormulaC6H18BN3O6
Molecular Weight239.04 g/mol
Exact Mass239.13
IUPAC Nameboric acid;tris(oxiran-2-amine)
SMILESNC1CO1.NC1CO1.NC1CO1.OB(O)O
InChIInChI=1S/3C2H5NO.BH3O3/c3*3-2-1-4-2;2-1(3)4/h3*2H,1,3H2;2-4H
InChIKeyFIMNHGVZGQZRLS-UHFFFAOYSA-N
XLogP-4.15
TPSA176.34 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.04
LogP ≤ 5-4.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-1,4-dioxan-2-yl)methanol
CID 155158463
(3R,4R)-2-aminooxolane-3,4-diol
CID 139898598
cyanic acid;oxiran-2-ylmethanol
CID 175278425
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine;dihydrochloride
CID 75601610
(3R,4R,5R)-4-aminooxane-2,3,5-triol
CID 131196002
(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
CID 93493392
2,4,5,6-tetrakis(oxiran-2-ylmethyl)cyclohexane-1,3-diamine
CID 19860717
(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 126688683
(2S,3R,4S,5R)-3-aminooxane-2,4,5-triol
CID 55289046
bis(oxiran-2-ylmethyl) carbonate
CID 13170402

Frequently Asked Questions

What is the IUPAC name of boric acid;tris(oxiran-2-amine)?
The IUPAC name of boric acid;tris(oxiran-2-amine) (CID 173389482) is boric acid;tris(oxiran-2-amine).
What is the SMILES notation for boric acid;tris(oxiran-2-amine)?
The canonical SMILES for boric acid;tris(oxiran-2-amine) is NC1CO1.NC1CO1.NC1CO1.OB(O)O.
What is the InChIKey of boric acid;tris(oxiran-2-amine)?
The InChIKey is FIMNHGVZGQZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5NO.BH3O3/c3*3-2-1-4-2;2-1(3)4/h3*2H,1,3H2;2-4H.
What are the key properties of boric acid;tris(oxiran-2-amine)?
boric acid;tris(oxiran-2-amine) has a molecular weight of 239.04 g/mol, XLogP of -4.15, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(oxiran-2-amine) is sourced from PubChem (CID 173389482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).