dodecasodium;tetraborate;decahydrate

H20B4Na12O22 — CID 86618040

IUPACdodecasodium;tetraborate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.12Na.10H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;10*1H2/q4*-3;12*+1;;;;;;;;;;
InChIKeyOMVLJXANVFHCPO-UHFFFAOYSA-N
MW691.27 g/mol
LogP-59.99
Rot. Bonds

About dodecasodium;tetraborate;decahydrate

dodecasodium;tetraborate;decahydrate (PubChem CID 86618040) has the molecular formula H20B4Na12O22 and a molecular weight of 691.27 g/mol. Its IUPAC name is dodecasodium;tetraborate;decahydrate.

Molecular Properties

Compound Namedodecasodium;tetraborate;decahydrate
PubChem CID86618040
Molecular FormulaH20B4Na12O22
Molecular Weight691.27 g/mol
Exact Mass691.96
IUPAC Namedodecasodium;tetraborate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.12Na.10H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;10*1H2/q4*-3;12*+1;;;;;;;;;;
InChIKeyOMVLJXANVFHCPO-UHFFFAOYSA-N
XLogP-59.99
TPSA591.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.27
LogP ≤ 5-59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

trisodium;borate;trihydrate
CID 141011813
magnesium;sodium;borate;hydrate
CID 173077041
tetraborate;pentahydrate
CID 18463322
pentaazanium;pentaborate;octahydrate
CID 57347063
sodium;tin(2+);borate
CID 174594424
CID 21430838
CID 21430838
trisodium;hydron;diborate
CID 173221263
tris(barium(2+));diborate;dihydrate
CID 157172386
calcium;lanthanum(3+);borate;hydrate
CID 172832291
dodecasodium;hydrogen peroxide;tetraborate
CID 174379547
gallium;sodium;barium(2+);diborate
CID 174813964
dilithium;sodium;yttrium(3+);diborate
CID 175358271

Frequently Asked Questions

What is the IUPAC name of dodecasodium;tetraborate;decahydrate?
The IUPAC name of dodecasodium;tetraborate;decahydrate (CID 86618040) is dodecasodium;tetraborate;decahydrate.
What is the SMILES notation for dodecasodium;tetraborate;decahydrate?
The canonical SMILES for dodecasodium;tetraborate;decahydrate is O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of dodecasodium;tetraborate;decahydrate?
The InChIKey is OMVLJXANVFHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.12Na.10H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;10*1H2/q4*-3;12*+1;;;;;;;;;;.
What are the key properties of dodecasodium;tetraborate;decahydrate?
dodecasodium;tetraborate;decahydrate has a molecular weight of 691.27 g/mol, XLogP of -59.99, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasodium;tetraborate;decahydrate is sourced from PubChem (CID 86618040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).