hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate

C6H12O38P- — CID 59824610

IUPAChydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
SMILESO=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOO[O-])OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C6H13O38P/c7-1-2(8)4(10)6(5(11)3(1)9)15-45(14,43-41-39-37-35-33-31-29-27-25-23-21-19-17-13)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-12/h1-13H/p-1/t1?,2-,3?,4?,5?,6?,45?/m1/s1
InChIKeyHBLGYXSLOVZUQM-PQZJQYNESA-M
MW723.10 g/mol
LogP-5.77
Rot. Bonds31

About hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate

hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate (PubChem CID 59824610) has the molecular formula C6H12O38P- and a molecular weight of 723.10 g/mol. Its IUPAC name is hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate.

Molecular Properties

Compound Namehydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
PubChem CID59824610
Molecular FormulaC6H12O38P-
Molecular Weight723.10 g/mol
Exact Mass722.87
IUPAC Namehydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
SMILESO=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOO[O-])OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C6H13O38P/c7-1-2(8)4(10)6(5(11)3(1)9)15-45(14,43-41-39-37-35-33-31-29-27-25-23-21-19-17-13)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-12/h1-13H/p-1/t1?,2-,3?,4?,5?,6?,45?/m1/s1
InChIKeyHBLGYXSLOVZUQM-PQZJQYNESA-M
XLogP-5.77
TPSA438.41 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.10
LogP ≤ 5-5.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate?
The IUPAC name of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate (CID 59824610) is hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate.
What is the SMILES notation for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate?
The canonical SMILES for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate is O=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOO[O-])OC1C(O)C(O)C(O)[C@@H](O)C1O.
What is the InChIKey of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate?
The InChIKey is HBLGYXSLOVZUQM-PQZJQYNESA-M. The full InChI is InChI=1S/C6H13O38P/c7-1-2(8)4(10)6(5(11)3(1)9)15-45(14,43-41-39-37-35-33-31-29-27-25-23-21-19-17-13)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-12/h1-13H/p-1/t1?,2-,3?,4?,5?,6?,45?/m1/s1.
What are the key properties of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate?
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate has a molecular weight of 723.10 g/mol, XLogP of -5.77, 31 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate is sourced from PubChem (CID 59824610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).