CID 20975252

C3H6NO4P — CID 20975252

IUPAC—
SMILESO=C(CO)CNP(=O)=O
InChIInChI=1S/C3H6NO4P/c5-2-3(6)1-4-9(7)8/h5H,1-2H2,(H,4,7,8)
InChIKeyAXEHWBQNEXAZTI-UHFFFAOYSA-N
MW151.06 g/mol
LogP-0.77
Rot. Bonds4

About CID 20975252

CID 20975252 (PubChem CID 20975252) has the molecular formula C3H6NO4P and a molecular weight of 151.06 g/mol.

Molecular Properties

Compound NameCID 20975252
PubChem CID20975252
Molecular FormulaC3H6NO4P
Molecular Weight151.06 g/mol
Exact Mass151.00
IUPAC Name—
SMILESO=C(CO)CNP(=O)=O
InChIInChI=1S/C3H6NO4P/c5-2-3(6)1-4-9(7)8/h5H,1-2H2,(H,4,7,8)
InChIKeyAXEHWBQNEXAZTI-UHFFFAOYSA-N
XLogP-0.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20975252?
The IUPAC name of CID 20975252 (CID 20975252) is not available.
What is the SMILES notation for CID 20975252?
The canonical SMILES for CID 20975252 is O=C(CO)CNP(=O)=O.
What is the InChIKey of CID 20975252?
The InChIKey is AXEHWBQNEXAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO4P/c5-2-3(6)1-4-9(7)8/h5H,1-2H2,(H,4,7,8).
What are the key properties of CID 20975252?
CID 20975252 has a molecular weight of 151.06 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20975252 is sourced from PubChem (CID 20975252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).