lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate

C3H8LiO6P — CID 175521798

IUPAClithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
SMILESO=C(CO)COP(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C3H7O6P.Li.H/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;+1;-1
InChIKeyVNCZMFGGYWWPQU-UHFFFAOYSA-N
MW178.01 g/mol
LogP-4.23
Rot. Bonds4

About lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate

lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate (PubChem CID 175521798) has the molecular formula C3H8LiO6P and a molecular weight of 178.01 g/mol. Its IUPAC name is lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate.

Molecular Properties

Compound Namelithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
PubChem CID175521798
Molecular FormulaC3H8LiO6P
Molecular Weight178.01 g/mol
Exact Mass178.02
IUPAC Namelithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
SMILESO=C(CO)COP(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C3H7O6P.Li.H/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;+1;-1
InChIKeyVNCZMFGGYWWPQU-UHFFFAOYSA-N
XLogP-4.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.01
LogP ≤ 5-4.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
CID 174800501
trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate
CID 117063828
2-oxobutyl dihydrogen phosphate
CID 57029304
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142
methyl 4-oxo-5-phosphonooxypentanoate
CID 132838497
2-phosphonooxyacetate
CID 20849060
(3-hydroxy-2-oxopropyl) (2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl) hydrogen phosphate
CID 4634718
ethyl 3-oxo-4-phosphonooxybutanoate
CID 132515992
[(3S)-3,4-dihydroxy-2-oxobutyl] dihydrogen phosphate
CID 5459897
barium(2+);bis(2-oxo-3-phosphonooxypropanoate)
CID 131698865
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
sodium;hydride;[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] dihydrogen phosphate
CID 173292543

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The IUPAC name of lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate (CID 175521798) is lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate.
What is the SMILES notation for lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The canonical SMILES for lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate is O=C(CO)COP(=O)(O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
The InChIKey is VNCZMFGGYWWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O6P.Li.H/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;+1;-1.
What are the key properties of lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate?
lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate has a molecular weight of 178.01 g/mol, XLogP of -4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate is sourced from PubChem (CID 175521798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).