azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate

H11NO16P4 — CID 174621290

IUPACazane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate
SMILESN.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(OO)OO
InChIInChI=1S/H3N.H5O10P3.H3O6P/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-5-7(3,4)6-2/h1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H,(H,3,4)
InChIKeyHGIRVMFWJFZKTQ-UHFFFAOYSA-N
MW404.98 g/mol
LogP-0.47
Rot. Bonds6

About azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate

azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate (PubChem CID 174621290) has the molecular formula H11NO16P4 and a molecular weight of 404.98 g/mol. Its IUPAC name is azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate.

Molecular Properties

Compound Nameazane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate
PubChem CID174621290
Molecular FormulaH11NO16P4
Molecular Weight404.98 g/mol
Exact Mass404.90
IUPAC Nameazane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate
SMILESN.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(OO)OO
InChIInChI=1S/H3N.H5O10P3.H3O6P/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-5-7(3,4)6-2/h1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H,(H,3,4)
InChIKeyHGIRVMFWJFZKTQ-UHFFFAOYSA-N
XLogP-0.47
TPSA302.04 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500404.98
LogP ≤ 5-0.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

potassium;azane;hydride;hydroxy phosphono hydrogen phosphate
CID 173006223
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
CID 131848730
CID 131848730
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221

Frequently Asked Questions

What is the IUPAC name of azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate?
The IUPAC name of azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate (CID 174621290) is azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate.
What is the SMILES notation for azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate?
The canonical SMILES for azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate is N.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(OO)OO.
What is the InChIKey of azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate?
The InChIKey is HGIRVMFWJFZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N.H5O10P3.H3O6P/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-5-7(3,4)6-2/h1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H,(H,3,4).
What are the key properties of azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate?
azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate has a molecular weight of 404.98 g/mol, XLogP of -0.47, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate is sourced from PubChem (CID 174621290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).