sodium;hydride;phosphoric acid;propan-2-one

C3H10NaO5P — CID 175134033

IUPACsodium;hydride;phosphoric acid;propan-2-one
SMILESCC(C)=O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C3H6O.Na.H3O4P.H/c1-3(2)4;;1-5(2,3)4;/h1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyDHUYSCQLGPPWCG-UHFFFAOYSA-N
MW180.07 g/mol
LogP-3.22
Rot. Bonds

About sodium;hydride;phosphoric acid;propan-2-one

sodium;hydride;phosphoric acid;propan-2-one (PubChem CID 175134033) has the molecular formula C3H10NaO5P and a molecular weight of 180.07 g/mol. Its IUPAC name is sodium;hydride;phosphoric acid;propan-2-one.

Molecular Properties

Compound Namesodium;hydride;phosphoric acid;propan-2-one
PubChem CID175134033
Molecular FormulaC3H10NaO5P
Molecular Weight180.07 g/mol
Exact Mass180.02
IUPAC Namesodium;hydride;phosphoric acid;propan-2-one
SMILESCC(C)=O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C3H6O.Na.H3O4P.H/c1-3(2)4;;1-5(2,3)4;/h1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyDHUYSCQLGPPWCG-UHFFFAOYSA-N
XLogP-3.22
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.07
LogP ≤ 5-3.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 sodium;hydride;phosphoric acid;propan-2-one?
The IUPAC name of sodium;hydride;phosphoric acid;propan-2-one (CID 175134033) is sodium;hydride;phosphoric acid;propan-2-one.
What is the SMILES notation for sodium;hydride;phosphoric acid;propan-2-one?
The canonical SMILES for sodium;hydride;phosphoric acid;propan-2-one is CC(C)=O.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;phosphoric acid;propan-2-one?
The InChIKey is DHUYSCQLGPPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Na.H3O4P.H/c1-3(2)4;;1-5(2,3)4;/h1-2H3;;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;phosphoric acid;propan-2-one?
sodium;hydride;phosphoric acid;propan-2-one has a molecular weight of 180.07 g/mol, XLogP of -3.22, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phosphoric acid;propan-2-one is sourced from PubChem (CID 175134033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).