CID 172998917

H12N3NaO4P — CID 172998917

IUPAC—
SMILESN.N.N.O=P(O)(O)O.[Na]
InChIInChI=1S/3H3N.Na.H3O4P/c;;;;1-5(2,3)4/h3*1H3;;(H3,1,2,3,4)
InChIKeyDOTHIHITQMUHHR-UHFFFAOYSA-N
MW172.08 g/mol
LogP-0.82
Rot. Bonds

About CID 172998917

CID 172998917 (PubChem CID 172998917) has the molecular formula H12N3NaO4P and a molecular weight of 172.08 g/mol.

Molecular Properties

Compound NameCID 172998917
PubChem CID172998917
Molecular FormulaH12N3NaO4P
Molecular Weight172.08 g/mol
Exact Mass172.05
IUPAC Name—
SMILESN.N.N.O=P(O)(O)O.[Na]
InChIInChI=1S/3H3N.Na.H3O4P/c;;;;1-5(2,3)4/h3*1H3;;(H3,1,2,3,4)
InChIKeyDOTHIHITQMUHHR-UHFFFAOYSA-N
XLogP-0.82
TPSA182.76 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.08
LogP ≤ 5-0.82
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 172998917?
The IUPAC name of CID 172998917 (CID 172998917) is not available.
What is the SMILES notation for CID 172998917?
The canonical SMILES for CID 172998917 is N.N.N.O=P(O)(O)O.[Na].
What is the InChIKey of CID 172998917?
The InChIKey is DOTHIHITQMUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/3H3N.Na.H3O4P/c;;;;1-5(2,3)4/h3*1H3;;(H3,1,2,3,4).
What are the key properties of CID 172998917?
CID 172998917 has a molecular weight of 172.08 g/mol, XLogP of -0.82, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172998917 is sourced from PubChem (CID 172998917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).