azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate

C4H18N2O7P2 — CID 173014442

IUPACazane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
SMILESCCOP(=O)(O)OP(=O)(O)OCC.N.N
InChIInChI=1S/C4H12O7P2.2H3N/c1-3-9-12(5,6)11-13(7,8)10-4-2;;/h3-4H2,1-2H3,(H,5,6)(H,7,8);2*1H3
InChIKeyYKAHYDAKHJQXHY-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.60
Rot. Bonds6

About azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate

azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate (PubChem CID 173014442) has the molecular formula C4H18N2O7P2 and a molecular weight of 268.14 g/mol. Its IUPAC name is azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate.

Molecular Properties

Compound Nameazane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
PubChem CID173014442
Molecular FormulaC4H18N2O7P2
Molecular Weight268.14 g/mol
Exact Mass268.06
IUPAC Nameazane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
SMILESCCOP(=O)(O)OP(=O)(O)OCC.N.N
InChIInChI=1S/C4H12O7P2.2H3N/c1-3-9-12(5,6)11-13(7,8)10-4-2;;/h3-4H2,1-2H3,(H,5,6)(H,7,8);2*1H3
InChIKeyYKAHYDAKHJQXHY-UHFFFAOYSA-N
XLogP1.60
TPSA172.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.60
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

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diethyl hydrogen phosphate;phosphoric acid
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diethyl hydrogen phosphate;sulfane
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diethyl hydrogen phosphate;scandium
CID 54607585
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005
diethyl hydrogen phosphate;formonitrile
CID 87389342
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
sodium;amino ethyl hydrogen phosphate;hydride
CID 173405948
ethyl trimethylsilyl hydrogen phosphate
CID 19079822

Frequently Asked Questions

What is the IUPAC name of azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate?
The IUPAC name of azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate (CID 173014442) is azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate.
What is the SMILES notation for azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate?
The canonical SMILES for azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate is CCOP(=O)(O)OP(=O)(O)OCC.N.N.
What is the InChIKey of azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate?
The InChIKey is YKAHYDAKHJQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O7P2.2H3N/c1-3-9-12(5,6)11-13(7,8)10-4-2;;/h3-4H2,1-2H3,(H,5,6)(H,7,8);2*1H3.
What are the key properties of azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate?
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate has a molecular weight of 268.14 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate is sourced from PubChem (CID 173014442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).