[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate

C6H15NO6P2 — CID 91239957

IUPAC[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
SMILESNP(=O)(OC1CCCCC1)OP(=O)(O)O
InChIInChI=1S/C6H15NO6P2/c7-14(8,13-15(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11)
InChIKeyAKLJMQLRLWGNDH-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.51
Rot. Bonds4

About [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate

[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate (PubChem CID 91239957) has the molecular formula C6H15NO6P2 and a molecular weight of 259.13 g/mol. Its IUPAC name is [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate.

Molecular Properties

Compound Name[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
PubChem CID91239957
Molecular FormulaC6H15NO6P2
Molecular Weight259.13 g/mol
Exact Mass259.04
IUPAC Name[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
SMILESNP(=O)(OC1CCCCC1)OP(=O)(O)O
InChIInChI=1S/C6H15NO6P2/c7-14(8,13-15(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11)
InChIKeyAKLJMQLRLWGNDH-UHFFFAOYSA-N
XLogP1.51
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.51
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

dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
CID 90737753
tricyclooctyl phosphate
CID 22995283
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
azanide;cyclohexyloxy-[[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphinic acid;platinum(2+)
CID 58140306
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475771
cyclohexyloxycarbonylphosphonic acid
CID 512087
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
[dichloro-[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphonic acid
CID 54148021
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
CID 158223204
CID 158223204

Frequently Asked Questions

What is the IUPAC name of [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate?
The IUPAC name of [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate (CID 91239957) is [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate.
What is the SMILES notation for [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate?
The canonical SMILES for [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate is NP(=O)(OC1CCCCC1)OP(=O)(O)O.
What is the InChIKey of [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate?
The InChIKey is AKLJMQLRLWGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6P2/c7-14(8,13-15(9,10)11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11).
What are the key properties of [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate?
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate has a molecular weight of 259.13 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate is sourced from PubChem (CID 91239957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).