CID 172715081

CH8NaO5 — CID 172715081

IUPAC—
SMILESO.O.O.O=CO.[Na]
InChIInChI=1S/CH2O2.Na.3H2O/c2-1-3;;;;/h1H,(H,2,3);;3*1H2
InChIKeyFTGBMOAMUISOTM-UHFFFAOYSA-N
MW123.06 g/mol
LogP-3.15
Rot. Bonds

About CID 172715081

CID 172715081 (PubChem CID 172715081) has the molecular formula CH8NaO5 and a molecular weight of 123.06 g/mol.

Molecular Properties

Compound NameCID 172715081
PubChem CID172715081
Molecular FormulaCH8NaO5
Molecular Weight123.06 g/mol
Exact Mass123.03
IUPAC Name—
SMILESO.O.O.O=CO.[Na]
InChIInChI=1S/CH2O2.Na.3H2O/c2-1-3;;;;/h1H,(H,2,3);;3*1H2
InChIKeyFTGBMOAMUISOTM-UHFFFAOYSA-N
XLogP-3.15
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.06
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172715081?
The IUPAC name of CID 172715081 (CID 172715081) is not available.
What is the SMILES notation for CID 172715081?
The canonical SMILES for CID 172715081 is O.O.O.O=CO.[Na].
What is the InChIKey of CID 172715081?
The InChIKey is FTGBMOAMUISOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Na.3H2O/c2-1-3;;;;/h1H,(H,2,3);;3*1H2.
What are the key properties of CID 172715081?
CID 172715081 has a molecular weight of 123.06 g/mol, XLogP of -3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172715081 is sourced from PubChem (CID 172715081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).