tris(morpholin-4-ylamino) phosphate

C12H27N6O7P — CID 141286204

IUPACtris(morpholin-4-ylamino) phosphate
SMILESO=P(ONN1CCOCC1)(ONN1CCOCC1)ONN1CCOCC1
InChIInChI=1S/C12H27N6O7P/c19-26(23-13-16-1-7-20-8-2-16,24-14-17-3-9-21-10-4-17)25-15-18-5-11-22-12-6-18/h13-15H,1-12H2
InChIKeyMWOGINFACMPUEY-UHFFFAOYSA-N
MW398.36 g/mol
LogP-1.60
Rot. Bonds9

About tris(morpholin-4-ylamino) phosphate

tris(morpholin-4-ylamino) phosphate (PubChem CID 141286204) has the molecular formula C12H27N6O7P and a molecular weight of 398.36 g/mol. Its IUPAC name is tris(morpholin-4-ylamino) phosphate.

Molecular Properties

Compound Nametris(morpholin-4-ylamino) phosphate
PubChem CID141286204
Molecular FormulaC12H27N6O7P
Molecular Weight398.36 g/mol
Exact Mass398.17
IUPAC Nametris(morpholin-4-ylamino) phosphate
SMILESO=P(ONN1CCOCC1)(ONN1CCOCC1)ONN1CCOCC1
InChIInChI=1S/C12H27N6O7P/c19-26(23-13-16-1-7-20-8-2-16,24-14-17-3-9-21-10-4-17)25-15-18-5-11-22-12-6-18/h13-15H,1-12H2
InChIKeyMWOGINFACMPUEY-UHFFFAOYSA-N
XLogP-1.60
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

N-morpholin-4-ylthiohydroxylamine;trihydrofluoride
CID 173110746
N-cyclohexylmorpholin-4-amine;phosphoric acid
CID 174919076
morpholin-4-yl dihydrogen phosphate
CID 57078331
morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870
dimorpholin-4-ylphosphinic acid
CID 4193589
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
morpholin-4-yl nitrite
CID 57324165
N-tert-butylmorpholin-4-amine
CID 20626719
2-(2-methoxyethoxy)-N-morpholin-4-ylacetamide
CID 103606655
4-[amino(chloro)phosphoryl]oxymorpholine
CID 126510145
N-morpholin-4-yl-2-oxoacetamide
CID 18449823
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343

Frequently Asked Questions

What is the IUPAC name of tris(morpholin-4-ylamino) phosphate?
The IUPAC name of tris(morpholin-4-ylamino) phosphate (CID 141286204) is tris(morpholin-4-ylamino) phosphate.
What is the SMILES notation for tris(morpholin-4-ylamino) phosphate?
The canonical SMILES for tris(morpholin-4-ylamino) phosphate is O=P(ONN1CCOCC1)(ONN1CCOCC1)ONN1CCOCC1.
What is the InChIKey of tris(morpholin-4-ylamino) phosphate?
The InChIKey is MWOGINFACMPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N6O7P/c19-26(23-13-16-1-7-20-8-2-16,24-14-17-3-9-21-10-4-17)25-15-18-5-11-22-12-6-18/h13-15H,1-12H2.
What are the key properties of tris(morpholin-4-ylamino) phosphate?
tris(morpholin-4-ylamino) phosphate has a molecular weight of 398.36 g/mol, XLogP of -1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(morpholin-4-ylamino) phosphate is sourced from PubChem (CID 141286204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).