azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate

C6H20N2O7P2 — CID 175582994

IUPACazane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate
SMILESN.N.O=P(O)(O)OP1(=O)OCCCCCCO1
InChIInChI=1S/C6H14O7P2.2H3N/c7-14(8,9)13-15(10)11-5-3-1-2-4-6-12-15;;/h1-6H2,(H2,7,8,9);2*1H3
InChIKeyOOVBIHJXNAZFSL-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.13
Rot. Bonds2

About azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate

azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate (PubChem CID 175582994) has the molecular formula C6H20N2O7P2 and a molecular weight of 294.18 g/mol. Its IUPAC name is azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Nameazane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate
PubChem CID175582994
Molecular FormulaC6H20N2O7P2
Molecular Weight294.18 g/mol
Exact Mass294.07
IUPAC Nameazane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate
SMILESN.N.O=P(O)(O)OP1(=O)OCCCCCCO1
InChIInChI=1S/C6H14O7P2.2H3N/c7-14(8,9)13-15(10)11-5-3-1-2-4-6-12-15;;/h1-6H2,(H2,7,8,9);2*1H3
InChIKeyOOVBIHJXNAZFSL-UHFFFAOYSA-N
XLogP2.13
TPSA172.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate?
The IUPAC name of azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate (CID 175582994) is azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate.
What is the SMILES notation for azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate?
The canonical SMILES for azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate is N.N.O=P(O)(O)OP1(=O)OCCCCCCO1.
What is the InChIKey of azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate?
The InChIKey is OOVBIHJXNAZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O7P2.2H3N/c7-14(8,9)13-15(10)11-5-3-1-2-4-6-12-15;;/h1-6H2,(H2,7,8,9);2*1H3.
What are the key properties of azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate?
azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate has a molecular weight of 294.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 175582994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).