[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate

C9H21NO6P- — CID 167585419

IUPAC[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate
SMILESCOCC(CCCCN)COP(=O)([O-])OOC
InChIInChI=1S/C9H22NO6P/c1-13-7-9(5-3-4-6-10)8-15-17(11,12)16-14-2/h9H,3-8,10H2,1-2H3,(H,11,12)/p-1
InChIKeyHSTLNEPBEWYDBA-UHFFFAOYSA-M
MW270.24 g/mol
LogP0.44
Rot. Bonds11

About [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate

[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate (PubChem CID 167585419) has the molecular formula C9H21NO6P- and a molecular weight of 270.24 g/mol. Its IUPAC name is [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate.

Molecular Properties

Compound Name[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate
PubChem CID167585419
Molecular FormulaC9H21NO6P-
Molecular Weight270.24 g/mol
Exact Mass270.11
IUPAC Name[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate
SMILESCOCC(CCCCN)COP(=O)([O-])OOC
InChIInChI=1S/C9H22NO6P/c1-13-7-9(5-3-4-6-10)8-15-17(11,12)16-14-2/h9H,3-8,10H2,1-2H3,(H,11,12)/p-1
InChIKeyHSTLNEPBEWYDBA-UHFFFAOYSA-M
XLogP0.44
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate?
The IUPAC name of [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate (CID 167585419) is [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate.
What is the SMILES notation for [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate?
The canonical SMILES for [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate is COCC(CCCCN)COP(=O)([O-])OOC.
What is the InChIKey of [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate?
The InChIKey is HSTLNEPBEWYDBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO6P/c1-13-7-9(5-3-4-6-10)8-15-17(11,12)16-14-2/h9H,3-8,10H2,1-2H3,(H,11,12)/p-1.
What are the key properties of [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate?
[6-amino-2-(methoxymethyl)hexyl] methoxy phosphate has a molecular weight of 270.24 g/mol, XLogP of 0.44, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-2-(methoxymethyl)hexyl] methoxy phosphate is sourced from PubChem (CID 167585419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).