azane;bis(ethyl dihydrogen phosphate)

C4H26N4O8P2 — CID 174611775

IUPACazane;bis(ethyl dihydrogen phosphate)
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.N.N.N.N
InChIInChI=1S/2C2H7O4P.4H3N/c2*1-2-6-7(3,4)5;;;;/h2*2H2,1H3,(H2,3,4,5);4*1H3
InChIKeyIAWZHQBVUIUQRS-UHFFFAOYSA-N
MW320.22 g/mol
LogP0.88
Rot. Bonds4

About azane;bis(ethyl dihydrogen phosphate)

azane;bis(ethyl dihydrogen phosphate) (PubChem CID 174611775) has the molecular formula C4H26N4O8P2 and a molecular weight of 320.22 g/mol. Its IUPAC name is azane;bis(ethyl dihydrogen phosphate).

Molecular Properties

Compound Nameazane;bis(ethyl dihydrogen phosphate)
PubChem CID174611775
Molecular FormulaC4H26N4O8P2
Molecular Weight320.22 g/mol
Exact Mass320.12
IUPAC Nameazane;bis(ethyl dihydrogen phosphate)
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.N.N.N.N
InChIInChI=1S/2C2H7O4P.4H3N/c2*1-2-6-7(3,4)5;;;;/h2*2H2,1H3,(H2,3,4,5);4*1H3
InChIKeyIAWZHQBVUIUQRS-UHFFFAOYSA-N
XLogP0.88
TPSA273.52 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 50.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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alumane;ethyl dihydrogen phosphate
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ethyl dihydrogen phosphate;N-methylmethanamine
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ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
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azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
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CID 174593393

Frequently Asked Questions

What is the IUPAC name of azane;bis(ethyl dihydrogen phosphate)?
The IUPAC name of azane;bis(ethyl dihydrogen phosphate) (CID 174611775) is azane;bis(ethyl dihydrogen phosphate).
What is the SMILES notation for azane;bis(ethyl dihydrogen phosphate)?
The canonical SMILES for azane;bis(ethyl dihydrogen phosphate) is CCOP(=O)(O)O.CCOP(=O)(O)O.N.N.N.N.
What is the InChIKey of azane;bis(ethyl dihydrogen phosphate)?
The InChIKey is IAWZHQBVUIUQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7O4P.4H3N/c2*1-2-6-7(3,4)5;;;;/h2*2H2,1H3,(H2,3,4,5);4*1H3.
What are the key properties of azane;bis(ethyl dihydrogen phosphate)?
azane;bis(ethyl dihydrogen phosphate) has a molecular weight of 320.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(ethyl dihydrogen phosphate) is sourced from PubChem (CID 174611775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).