azane;boric acid;ethane-1,2-diol

C2H66B5N15O17 — CID 172803577

IUPACazane;boric acid;ethane-1,2-diol
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OCCO
InChIInChI=1S/C2H6O2.5BH3O3.15H3N/c3-1-2-4;5*2-1(3)4;;;;;;;;;;;;;;;/h3-4H,1-2H2;5*2-4H;15*1H3
InChIKeyREVHBXRQFKQINM-UHFFFAOYSA-N
MW626.70 g/mol
LogP-8.86
Rot. Bonds1

About azane;boric acid;ethane-1,2-diol

azane;boric acid;ethane-1,2-diol (PubChem CID 172803577) has the molecular formula C2H66B5N15O17 and a molecular weight of 626.70 g/mol. Its IUPAC name is azane;boric acid;ethane-1,2-diol.

Molecular Properties

Compound Nameazane;boric acid;ethane-1,2-diol
PubChem CID172803577
Molecular FormulaC2H66B5N15O17
Molecular Weight626.70 g/mol
Exact Mass627.52
IUPAC Nameazane;boric acid;ethane-1,2-diol
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OCCO
InChIInChI=1S/C2H6O2.5BH3O3.15H3N/c3-1-2-4;5*2-1(3)4;;;;;;;;;;;;;;;/h3-4H,1-2H2;5*2-4H;15*1H3
InChIKeyREVHBXRQFKQINM-UHFFFAOYSA-N
XLogP-8.86
TPSA868.91 Ų
H-Bond Donors32
H-Bond Acceptors32
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500626.70
LogP ≤ 5-8.86
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

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Related Compounds

azane;boric acid
CID 173195173
azane;boric acid
CID 172700013
azane;octakis(butane-1,4-diol)
CID 173377605
ethane-1,2-diol;trihydrochloride
CID 172793976
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
azane;boric acid;hydrate
CID 172814433
ethane-1,2-diol;palladium(2+)
CID 175783555
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;titanium(4+)
CID 21124602
azane;boric acid;tetrahydrate
CID 172699009
ethane-1,2-diol;rhenium
CID 175749522

Frequently Asked Questions

What is the IUPAC name of azane;boric acid;ethane-1,2-diol?
The IUPAC name of azane;boric acid;ethane-1,2-diol (CID 172803577) is azane;boric acid;ethane-1,2-diol.
What is the SMILES notation for azane;boric acid;ethane-1,2-diol?
The canonical SMILES for azane;boric acid;ethane-1,2-diol is N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OCCO.
What is the InChIKey of azane;boric acid;ethane-1,2-diol?
The InChIKey is REVHBXRQFKQINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.5BH3O3.15H3N/c3-1-2-4;5*2-1(3)4;;;;;;;;;;;;;;;/h3-4H,1-2H2;5*2-4H;15*1H3.
What are the key properties of azane;boric acid;ethane-1,2-diol?
azane;boric acid;ethane-1,2-diol has a molecular weight of 626.70 g/mol, XLogP of -8.86, 1 rotatable bonds, 32 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boric acid;ethane-1,2-diol is sourced from PubChem (CID 172803577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).