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

H2O11P4 — CID 141306800

IUPAC2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate
SMILESO.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/O10P4.H2O/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H2
InChIKeyAWQUBPDCEBFOKZ-UHFFFAOYSA-N
MW301.90 g/mol
LogP1.73
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;hydrate

2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate (PubChem CID 141306800) has the molecular formula H2O11P4 and a molecular weight of 301.90 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;hydrate.

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;hydrate
PubChem CID141306800
Molecular FormulaH2O11P4
Molecular Weight301.90 g/mol
Exact Mass301.85
IUPAC Name2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate
SMILESO.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/O10P4.H2O/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H2
InChIKeyAWQUBPDCEBFOKZ-UHFFFAOYSA-N
XLogP1.73
TPSA155.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.90
LogP ≤ 51.73
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;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phosphorus oxide (P4O10)
CID 14812
Tetraphosphorus heptaoxide
CID 139226
Tetraphosphorus octoxide
CID 139223
2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraphosphatricyclo(3.3.1.13,7)decane, 1,3,5-trioxide
CID 139224
Dioxosilane;2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
CID 164672889
phosphorus P2O5
CID 86715555
2,4,6,8,9-Pentaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
CID 118651829
Phosphorus pentoxide phosphorus oxychloride
CID 131710870
7-Methylidene-2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5-trioxide
CID 133701361
(3,5,7-Trioxo-2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decan-1-ylidene)oxidanium
CID 147386293
2,4,6,8,9,10-Hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;2,4,6-trihydroxy-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide
CID 158186577
2,4,6,8,9,10-Hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydroiodide
CID 174807184

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;hydrate?
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;hydrate (CID 141306800) is 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate.
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;hydrate?
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;hydrate is O.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.
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;hydrate?
The InChIKey is AWQUBPDCEBFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/O10P4.H2O/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;/h;1H2.
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;hydrate?
2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate has a molecular weight of 301.90 g/mol, XLogP of 1.73, 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;hydrate is sourced from PubChem (CID 141306800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).