2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide

CH2O9P4 — CID 118651829

IUPAC2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
SMILESO=P12CP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/CH2O9P4/c2-11-1-12(3)8-13(4,6-11)10-14(5,7-11)9-12/h1H2
InChIKeyDKANYCNBFRBLOF-UHFFFAOYSA-N
MW281.91 g/mol
LogP2.67
Rot. Bonds

About 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide

2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide (PubChem CID 118651829) has the molecular formula CH2O9P4 and a molecular weight of 281.91 g/mol. Its IUPAC name is 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide.

Molecular Properties

Compound Name2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
PubChem CID118651829
Molecular FormulaCH2O9P4
Molecular Weight281.91 g/mol
Exact Mass281.86
IUPAC Name2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
SMILESO=P12CP3(=O)OP(=O)(O1)OP(=O)(O2)O3
InChIInChI=1S/CH2O9P4/c2-11-1-12(3)8-13(4,6-11)10-14(5,7-11)9-12/h1H2
InChIKeyDKANYCNBFRBLOF-UHFFFAOYSA-N
XLogP2.67
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.91
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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
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
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-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The IUPAC name of 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide (CID 118651829) is 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide.
What is the SMILES notation for 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The canonical SMILES for 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide is O=P12CP3(=O)OP(=O)(O1)OP(=O)(O2)O3.
What is the InChIKey of 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The InChIKey is DKANYCNBFRBLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O9P4/c2-11-1-12(3)8-13(4,6-11)10-14(5,7-11)9-12/h1H2.
What are the key properties of 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide has a molecular weight of 281.91 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,9-pentaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide is sourced from PubChem (CID 118651829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).