CID 175868978

C6H8Na2O6 — CID 175868978

IUPAC—
SMILESO=C1O[C@@H]([C@H](O)CO)C(O)=C1O.[Na].[Na]
InChIInChI=1S/C6H8O6.2Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;/t2-,5+;;/m1../s1
InChIKeyGQVSRMUGAQAKFG-HQFYZDKOSA-N
MW222.10 g/mol
LogP-2.17
Rot. Bonds2

About CID 175868978

CID 175868978 (PubChem CID 175868978) has the molecular formula C6H8Na2O6 and a molecular weight of 222.10 g/mol.

Molecular Properties

Compound NameCID 175868978
PubChem CID175868978
Molecular FormulaC6H8Na2O6
Molecular Weight222.10 g/mol
Exact Mass222.01
IUPAC Name—
SMILESO=C1O[C@@H]([C@H](O)CO)C(O)=C1O.[Na].[Na]
InChIInChI=1S/C6H8O6.2Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;/t2-,5+;;/m1../s1
InChIKeyGQVSRMUGAQAKFG-HQFYZDKOSA-N
XLogP-2.17
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 175868978?
The IUPAC name of CID 175868978 (CID 175868978) is not available.
What is the SMILES notation for CID 175868978?
The canonical SMILES for CID 175868978 is O=C1O[C@@H]([C@H](O)CO)C(O)=C1O.[Na].[Na].
What is the InChIKey of CID 175868978?
The InChIKey is GQVSRMUGAQAKFG-HQFYZDKOSA-N. The full InChI is InChI=1S/C6H8O6.2Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;/t2-,5+;;/m1../s1.
What are the key properties of CID 175868978?
CID 175868978 has a molecular weight of 222.10 g/mol, XLogP of -2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175868978 is sourced from PubChem (CID 175868978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).