2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide

C7H9O8P2+ — CID 159688275

IUPAC2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide
SMILESO=[P+]1OC=CCOP(=O)(O)OC=COC=CO1
InChIInChI=1S/C7H8O8P2/c8-16-12-2-1-3-14-17(9,10)15-7-5-11-4-6-13-16/h1-2,4-7H,3H2/p+1
InChIKeyJYUJPASAZIMHMY-UHFFFAOYSA-O
MW283.09 g/mol
LogP2.30
Rot. Bonds

About 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide

2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide (PubChem CID 159688275) has the molecular formula C7H9O8P2+ and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide.

Molecular Properties

Compound Name2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide
PubChem CID159688275
Molecular FormulaC7H9O8P2+
Molecular Weight283.09 g/mol
Exact Mass282.98
IUPAC Name2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide
SMILESO=[P+]1OC=CCOP(=O)(O)OC=COC=CO1
InChIInChI=1S/C7H8O8P2/c8-16-12-2-1-3-14-17(9,10)15-7-5-11-4-6-13-16/h1-2,4-7H,3H2/p+1
InChIKeyJYUJPASAZIMHMY-UHFFFAOYSA-O
XLogP2.30
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide?
The IUPAC name of 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide (CID 159688275) is 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide.
What is the SMILES notation for 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide?
The canonical SMILES for 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide is O=[P+]1OC=CCOP(=O)(O)OC=COC=CO1.
What is the InChIKey of 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide?
The InChIKey is JYUJPASAZIMHMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8O8P2/c8-16-12-2-1-3-14-17(9,10)15-7-5-11-4-6-13-16/h1-2,4-7H,3H2/p+1.
What are the key properties of 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide?
2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide has a molecular weight of 283.09 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide is sourced from PubChem (CID 159688275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).