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

H3O10P5 — CID 86715555

IUPAC2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane
SMILESO=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.P
InChIInChI=1S/O10P4.H3P/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H3
InChIKeyPSGCRHLFZJRYEA-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.62
Rot. Bonds

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

2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane (PubChem CID 86715555) has the molecular formula H3O10P5 and a molecular weight of 317.88 g/mol. Its IUPAC name is 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane.

Molecular Properties

Compound Name2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane
PubChem CID86715555
Molecular FormulaH3O10P5
Molecular Weight317.88 g/mol
Exact Mass317.84
IUPAC Name2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane
SMILESO=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.P
InChIInChI=1S/O10P4.H3P/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H3
InChIKeyPSGCRHLFZJRYEA-UHFFFAOYSA-N
XLogP2.62
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane?
The IUPAC name of 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane (CID 86715555) is 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane.
What is the SMILES notation for 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane?
The canonical SMILES for 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane is O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.P.
What is the InChIKey of 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane?
The InChIKey is PSGCRHLFZJRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/O10P4.H3P/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H3.
What are the key properties of 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane?
2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane has a molecular weight of 317.88 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphane is sourced from PubChem (CID 86715555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).