hexasodium;carbonic acid;hydride

C11H28Na6O33 — CID 173063783

IUPAChexasodium;carbonic acid;hydride
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.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/11CH2O3.6Na.6H/c11*2-1(3)4;;;;;;;;;;;;/h11*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;6*+1;6*-1
InChIKeyNPKTXSKKEWYQQP-UHFFFAOYSA-N
MW826.25 g/mol
LogP-14.85
Rot. Bonds

About hexasodium;carbonic acid;hydride

hexasodium;carbonic acid;hydride (PubChem CID 173063783) has the molecular formula C11H28Na6O33 and a molecular weight of 826.25 g/mol. Its IUPAC name is hexasodium;carbonic acid;hydride.

Molecular Properties

Compound Namehexasodium;carbonic acid;hydride
PubChem CID173063783
Molecular FormulaC11H28Na6O33
Molecular Weight826.25 g/mol
Exact Mass825.99
IUPAC Namehexasodium;carbonic acid;hydride
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.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/11CH2O3.6Na.6H/c11*2-1(3)4;;;;;;;;;;;;/h11*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;6*+1;6*-1
InChIKeyNPKTXSKKEWYQQP-UHFFFAOYSA-N
XLogP-14.85
TPSA632.83 Ų
H-Bond Donors22
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500826.25
LogP ≤ 5-14.85
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of hexasodium;carbonic acid;hydride?
The IUPAC name of hexasodium;carbonic acid;hydride (CID 173063783) is hexasodium;carbonic acid;hydride.
What is the SMILES notation for hexasodium;carbonic acid;hydride?
The canonical SMILES for hexasodium;carbonic acid;hydride 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.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;carbonic acid;hydride?
The InChIKey is NPKTXSKKEWYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/11CH2O3.6Na.6H/c11*2-1(3)4;;;;;;;;;;;;/h11*(H2,2,3,4);;;;;;;;;;;;/q;;;;;;;;;;;6*+1;6*-1.
What are the key properties of hexasodium;carbonic acid;hydride?
hexasodium;carbonic acid;hydride has a molecular weight of 826.25 g/mol, XLogP of -14.85, 0 rotatable bonds, 22 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;carbonic acid;hydride is sourced from PubChem (CID 173063783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).