CID 170842896

C7H8Na2O7 — CID 170842896

IUPAC—
SMILESO=C(O)CC1(CC(=O)O)OCOC1=O.[Na].[Na]
InChIInChI=1S/C7H8O7.2Na/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7;;/h1-3H2,(H,8,9)(H,10,11);;
InChIKeyUJTXFFJPMLFSJT-UHFFFAOYSA-N
MW250.11 g/mol
LogP-1.56
Rot. Bonds4

About CID 170842896

CID 170842896 (PubChem CID 170842896) has the molecular formula C7H8Na2O7 and a molecular weight of 250.11 g/mol.

Molecular Properties

Compound NameCID 170842896
PubChem CID170842896
Molecular FormulaC7H8Na2O7
Molecular Weight250.11 g/mol
Exact Mass250.01
IUPAC Name—
SMILESO=C(O)CC1(CC(=O)O)OCOC1=O.[Na].[Na]
InChIInChI=1S/C7H8O7.2Na/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7;;/h1-3H2,(H,8,9)(H,10,11);;
InChIKeyUJTXFFJPMLFSJT-UHFFFAOYSA-N
XLogP-1.56
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 170842896?
The IUPAC name of CID 170842896 (CID 170842896) is not available.
What is the SMILES notation for CID 170842896?
The canonical SMILES for CID 170842896 is O=C(O)CC1(CC(=O)O)OCOC1=O.[Na].[Na].
What is the InChIKey of CID 170842896?
The InChIKey is UJTXFFJPMLFSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7.2Na/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7;;/h1-3H2,(H,8,9)(H,10,11);;.
What are the key properties of CID 170842896?
CID 170842896 has a molecular weight of 250.11 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170842896 is sourced from PubChem (CID 170842896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).