[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate

C8H22N2O7P2 — CID 102093654

IUPAC[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate
SMILESCC(C)(N)COP(=O)(O)OP(=O)(O)OCC(C)(C)N
InChIInChI=1S/C8H22N2O7P2/c1-7(2,9)5-15-18(11,12)17-19(13,14)16-6-8(3,4)10/h5-6,9-10H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyKJPHQPADYRYDFP-UHFFFAOYSA-N
MW320.22 g/mol
LogP0.71
Rot. Bonds8

About [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate

[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate (PubChem CID 102093654) has the molecular formula C8H22N2O7P2 and a molecular weight of 320.22 g/mol. Its IUPAC name is [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate.

Molecular Properties

Compound Name[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate
PubChem CID102093654
Molecular FormulaC8H22N2O7P2
Molecular Weight320.22 g/mol
Exact Mass320.09
IUPAC Name[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate
SMILESCC(C)(N)COP(=O)(O)OP(=O)(O)OCC(C)(C)N
InChIInChI=1S/C8H22N2O7P2/c1-7(2,9)5-15-18(11,12)17-19(13,14)16-6-8(3,4)10/h5-6,9-10H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyKJPHQPADYRYDFP-UHFFFAOYSA-N
XLogP0.71
TPSA154.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[(3R)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] methyl hydrogen phosphate
CID 118797877
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028
2-amino-2-methyl-3-phosphonooxypropanoic acid
CID 3964633
1-hydroperoxy-2-methylpropan-2-amine
CID 59000383
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
[butoxy(hydroxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 139957070
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
[2-[[hydroxy-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 171853521
[2-[[hydroxy-[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87503837

Frequently Asked Questions

What is the IUPAC name of [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate?
The IUPAC name of [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate (CID 102093654) is [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate.
What is the SMILES notation for [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate?
The canonical SMILES for [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate is CC(C)(N)COP(=O)(O)OP(=O)(O)OCC(C)(C)N.
What is the InChIKey of [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate?
The InChIKey is KJPHQPADYRYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O7P2/c1-7(2,9)5-15-18(11,12)17-19(13,14)16-6-8(3,4)10/h5-6,9-10H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate?
[(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate has a molecular weight of 320.22 g/mol, XLogP of 0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-2-methylpropoxy)-hydroxyphosphoryl] (2-amino-2-methylpropyl) hydrogen phosphate is sourced from PubChem (CID 102093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).