azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid

H9N2O14P5 — CID 174799376

IUPACazane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid
SMILESN.N.O=P(O)(O)O.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/2H3N.O10P4.H3O4P/c;;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-5(2,3)4/h2*1H3;;(H3,1,2,3,4)
InChIKeyRRHSZMJEIBKFSB-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.95
Rot. Bonds

About azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid

azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid (PubChem CID 174799376) has the molecular formula H9N2O14P5 and a molecular weight of 415.94 g/mol. Its IUPAC name is azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid.

Molecular Properties

Compound Nameazane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid
PubChem CID174799376
Molecular FormulaH9N2O14P5
Molecular Weight415.94 g/mol
Exact Mass415.87
IUPAC Nameazane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid
SMILESN.N.O=P(O)(O)O.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/2H3N.O10P4.H3O4P/c;;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-5(2,3)4/h2*1H3;;(H3,1,2,3,4)
InChIKeyRRHSZMJEIBKFSB-UHFFFAOYSA-N
XLogP1.95
TPSA271.42 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid with MolForge

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Related Compounds

azane;phosphoric acid
CID 174789402
azane;phosphoric acid;hydrate
CID 173222009
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;methane;phosphoric acid
CID 174060347
CID 172998917
CID 172998917
Phosphoric acid--silanol (1/3)
CID 78065783
azane;iron;phosphoric acid
CID 174725470
azane;phosphoric acid;tungsten
CID 174566468
lithium;azane;hydride;phosphoric acid
CID 173015565
cesium;azane;hydride;phosphoric acid
CID 174611777
azane;hydroxylamine;phosphoric acid
CID 173277328
calcium;azane;hydride;phosphoric acid
CID 174906772

Frequently Asked Questions

What is the IUPAC name of azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid?
The IUPAC name of azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid (CID 174799376) is azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid.
What is the SMILES notation for azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid?
The canonical SMILES for azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid is N.N.O=P(O)(O)O.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.
What is the InChIKey of azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid?
The InChIKey is RRHSZMJEIBKFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.O10P4.H3O4P/c;;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-5(2,3)4/h2*1H3;;(H3,1,2,3,4).
What are the key properties of azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid?
azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid has a molecular weight of 415.94 g/mol, XLogP of 1.95, 0 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid is sourced from PubChem (CID 174799376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).