CID 131881609

C7H18NaO10 — CID 131881609

IUPAC—
SMILESO.O.O=C(O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na]
InChIInChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2/t2-,3-,4+,5-,6?;;;/m1.../s1
InChIKeyABXFZKJVGRYMMM-WYFATIGWSA-N
MW285.20 g/mol
LogP-6.16
Rot. Bonds6

About CID 131881609

CID 131881609 (PubChem CID 131881609) has the molecular formula C7H18NaO10 and a molecular weight of 285.20 g/mol.

Molecular Properties

Compound NameCID 131881609
PubChem CID131881609
Molecular FormulaC7H18NaO10
Molecular Weight285.20 g/mol
Exact Mass285.08
IUPAC Name—
SMILESO.O.O=C(O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na]
InChIInChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2/t2-,3-,4+,5-,6?;;;/m1.../s1
InChIKeyABXFZKJVGRYMMM-WYFATIGWSA-N
XLogP-6.16
TPSA221.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.20
LogP ≤ 5-6.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131881609?
The IUPAC name of CID 131881609 (CID 131881609) is not available.
What is the SMILES notation for CID 131881609?
The canonical SMILES for CID 131881609 is O.O.O=C(O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na].
What is the InChIKey of CID 131881609?
The InChIKey is ABXFZKJVGRYMMM-WYFATIGWSA-N. The full InChI is InChI=1S/C7H14O8.Na.2H2O/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2-6,8-13H,1H2,(H,14,15);;2*1H2/t2-,3-,4+,5-,6?;;;/m1.../s1.
What are the key properties of CID 131881609?
CID 131881609 has a molecular weight of 285.20 g/mol, XLogP of -6.16, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131881609 is sourced from PubChem (CID 131881609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).