CID 87292853

C3H11NaO7P — CID 87292853

IUPAC—
SMILESO=P(O)(O)O.OCC(O)CO.[Na]
InChIInChI=1S/C3H8O3.Na.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4)
InChIKeyPYPGFWPYXNDBGD-UHFFFAOYSA-N
MW213.08 g/mol
LogP-2.98
Rot. Bonds2

About CID 87292853

CID 87292853 (PubChem CID 87292853) has the molecular formula C3H11NaO7P and a molecular weight of 213.08 g/mol.

Molecular Properties

Compound NameCID 87292853
PubChem CID87292853
Molecular FormulaC3H11NaO7P
Molecular Weight213.08 g/mol
Exact Mass213.01
IUPAC Name—
SMILESO=P(O)(O)O.OCC(O)CO.[Na]
InChIInChI=1S/C3H8O3.Na.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4)
InChIKeyPYPGFWPYXNDBGD-UHFFFAOYSA-N
XLogP-2.98
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.08
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87292853?
The IUPAC name of CID 87292853 (CID 87292853) is not available.
What is the SMILES notation for CID 87292853?
The canonical SMILES for CID 87292853 is O=P(O)(O)O.OCC(O)CO.[Na].
What is the InChIKey of CID 87292853?
The InChIKey is PYPGFWPYXNDBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.Na.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4).
What are the key properties of CID 87292853?
CID 87292853 has a molecular weight of 213.08 g/mol, XLogP of -2.98, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87292853 is sourced from PubChem (CID 87292853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).