hydroxymethyl hydrogen phosphate;methane;propane

C6H20O5P- — CID 159004850

IUPAChydroxymethyl hydrogen phosphate;methane;propane
SMILESC.C.CCC.O=P([O-])(O)OCO
InChIInChI=1S/C3H8.CH5O5P.2CH4/c1-3-2;2-1-6-7(3,4)5;;/h3H2,1-2H3;2H,1H2,(H2,3,4,5);2*1H4/p-1
InChIKeyJRUHVFUZMKSKRF-UHFFFAOYSA-M
MW203.19 g/mol
LogP1.10
Rot. Bonds2

About hydroxymethyl hydrogen phosphate;methane;propane

hydroxymethyl hydrogen phosphate;methane;propane (PubChem CID 159004850) has the molecular formula C6H20O5P- and a molecular weight of 203.19 g/mol. Its IUPAC name is hydroxymethyl hydrogen phosphate;methane;propane.

Molecular Properties

Compound Namehydroxymethyl hydrogen phosphate;methane;propane
PubChem CID159004850
Molecular FormulaC6H20O5P-
Molecular Weight203.19 g/mol
Exact Mass203.11
IUPAC Namehydroxymethyl hydrogen phosphate;methane;propane
SMILESC.C.CCC.O=P([O-])(O)OCO
InChIInChI=1S/C3H8.CH5O5P.2CH4/c1-3-2;2-1-6-7(3,4)5;;/h3H2,1-2H3;2H,1H2,(H2,3,4,5);2*1H4/p-1
InChIKeyJRUHVFUZMKSKRF-UHFFFAOYSA-M
XLogP1.10
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethyl hydrogen phosphate;methane;propane?
The IUPAC name of hydroxymethyl hydrogen phosphate;methane;propane (CID 159004850) is hydroxymethyl hydrogen phosphate;methane;propane.
What is the SMILES notation for hydroxymethyl hydrogen phosphate;methane;propane?
The canonical SMILES for hydroxymethyl hydrogen phosphate;methane;propane is C.C.CCC.O=P([O-])(O)OCO.
What is the InChIKey of hydroxymethyl hydrogen phosphate;methane;propane?
The InChIKey is JRUHVFUZMKSKRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8.CH5O5P.2CH4/c1-3-2;2-1-6-7(3,4)5;;/h3H2,1-2H3;2H,1H2,(H2,3,4,5);2*1H4/p-1.
What are the key properties of hydroxymethyl hydrogen phosphate;methane;propane?
hydroxymethyl hydrogen phosphate;methane;propane has a molecular weight of 203.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl hydrogen phosphate;methane;propane is sourced from PubChem (CID 159004850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).