dodecasodium;carbonic acid;hexacarbonate

C20H28Na12O60 — CID 173011639

IUPACdodecasodium;carbonic acid;hexacarbonate
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/20CH2O3.12Na/c20*2-1(3)4;;;;;;;;;;;;/h20*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;12*+1/p-12
InChIKeyVGVHAPCCGVXCDV-UHFFFAOYSA-B
MW1504.26 g/mol
LogP-47.52
Rot. Bonds

About dodecasodium;carbonic acid;hexacarbonate

dodecasodium;carbonic acid;hexacarbonate (PubChem CID 173011639) has the molecular formula C20H28Na12O60 and a molecular weight of 1504.26 g/mol. Its IUPAC name is dodecasodium;carbonic acid;hexacarbonate.

Molecular Properties

Compound Namedodecasodium;carbonic acid;hexacarbonate
PubChem CID173011639
Molecular FormulaC20H28Na12O60
Molecular Weight1504.26 g/mol
Exact Mass1503.79
IUPAC Namedodecasodium;carbonic acid;hexacarbonate
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/20CH2O3.12Na/c20*2-1(3)4;;;;;;;;;;;;/h20*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;12*+1/p-12
InChIKeyVGVHAPCCGVXCDV-UHFFFAOYSA-B
XLogP-47.52
TPSA1184.56 Ų
H-Bond Donors28
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.26
LogP ≤ 5-47.52
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1032

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Related Compounds

pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
icosasodium;carbonic acid;decacarbonate
CID 173436065
trisodium;carbonic acid;hydrogen carbonate;carbonate
CID 173334422
dipotassium;disodium;azane;carbonic acid;dicarbonate
CID 173340868
decapotassium;carbonic acid;pentacarbonate
CID 173334932
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
triacontacalcium;carbonic acid;triacontacarbonate
CID 173108074
triacontamagnesium;carbonic acid;triacontacarbonate
CID 173337540
decacalcium;carbonic acid;decacarbonate
CID 173264131
icosacalcium;carbonic acid;icosacarbonate
CID 173172456
hexadecasodium;octacarbonate
CID 141056250
disodium;boric acid;carbonic acid;carbonate
CID 158571520

Frequently Asked Questions

What is the IUPAC name of dodecasodium;carbonic acid;hexacarbonate?
The IUPAC name of dodecasodium;carbonic acid;hexacarbonate (CID 173011639) is dodecasodium;carbonic acid;hexacarbonate.
What is the SMILES notation for dodecasodium;carbonic acid;hexacarbonate?
The canonical SMILES for dodecasodium;carbonic acid;hexacarbonate is O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of dodecasodium;carbonic acid;hexacarbonate?
The InChIKey is VGVHAPCCGVXCDV-UHFFFAOYSA-B. The full InChI is InChI=1S/20CH2O3.12Na/c20*2-1(3)4;;;;;;;;;;;;/h20*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;12*+1/p-12.
What are the key properties of dodecasodium;carbonic acid;hexacarbonate?
dodecasodium;carbonic acid;hexacarbonate has a molecular weight of 1504.26 g/mol, XLogP of -47.52, 0 rotatable bonds, 28 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasodium;carbonic acid;hexacarbonate is sourced from PubChem (CID 173011639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).