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

Cl3O11P5 — CID 131710870

IUPAC2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/Cl3OP.O10P4/c1-5(2,3)4;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12
InChIKeyNXIQRMHCPRVTRA-UHFFFAOYSA-N
MW437.22 g/mol
LogP5.37
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;phosphoryl trichloride

2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoryl trichloride (PubChem CID 131710870) has the molecular formula Cl3O11P5 and a molecular weight of 437.22 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;phosphoryl trichloride.

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;phosphoryl trichloride
PubChem CID131710870
Molecular FormulaCl3O11P5
Molecular Weight437.22 g/mol
Exact Mass435.72
IUPAC Name2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/Cl3OP.O10P4/c1-5(2,3)4;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12
InChIKeyNXIQRMHCPRVTRA-UHFFFAOYSA-N
XLogP5.37
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500437.22
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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;phosphoryl trichloride with MolForge

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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
phosphorus P2O5
CID 86715555
2,4,6,8,9,10-Hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;hydrate
CID 141306800
(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;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;phosphoryl trichloride?
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;phosphoryl trichloride (CID 131710870) is 2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoryl trichloride.
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;phosphoryl trichloride?
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;phosphoryl trichloride is O=P(Cl)(Cl)Cl.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;phosphoryl trichloride?
The InChIKey is NXIQRMHCPRVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3OP.O10P4/c1-5(2,3)4;1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12.
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;phosphoryl trichloride?
2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoryl trichloride has a molecular weight of 437.22 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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;phosphoryl trichloride is sourced from PubChem (CID 131710870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).