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

C6H13O38P — CID 59824619

IUPAChydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate
SMILESO=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOOO)OC1C(O)[C@@H](O)C(O)C(O)[C@H]1O
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/t1?,2-,3?,4?,5+,6?,45?/m0/s1
InChIKeyHBLGYXSLOVZUQM-OGSLJTBRSA-N
MW724.11 g/mol
LogP-4.57
Rot. Bonds31

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

hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate (PubChem CID 59824619) has the molecular formula C6H13O38P and a molecular weight of 724.11 g/mol. Its IUPAC name is hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate.

Molecular Properties

Compound Namehydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate
PubChem CID59824619
Molecular FormulaC6H13O38P
Molecular Weight724.11 g/mol
Exact Mass723.88
IUPAC Namehydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate
SMILESO=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOOO)OC1C(O)[C@@H](O)C(O)C(O)[C@H]1O
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/t1?,2-,3?,4?,5+,6?,45?/m0/s1
InChIKeyHBLGYXSLOVZUQM-OGSLJTBRSA-N
XLogP-4.57
TPSA435.58 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.11
LogP ≤ 5-4.57
H-Bond Donors ≤ 57
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'}

Analyze hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate with MolForge

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Launch Full Analysis

Related Compounds

hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
CID 59824610
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 101490616
[(3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
CID 59824613
cis-(1S,4R)-6-dimethylphosphoryloxycyclohexane-1,2,3,4,5-pentol
CID 121400591
[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[oxido-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxycyclohexyl] phosphate
CID 53262351
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 25203839
[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
CID 25203530
[(1R,2S,3S,4S,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl] phosphate
CID 23246906
hexasodium;[(1R,2S,3S,4R,5S,6S)-2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl] phosphate
CID 11038939
[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl] phosphono hydrogen phosphate
CID 14389199
(1S,2S,4R,5S)-6-dihydroxyphosphinothioyloxycyclohexane-1,2,3,4,5-pentol
CID 14860413
[(1R,2R,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 11762822

Frequently Asked Questions

What is the IUPAC name of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate?
The IUPAC name of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate (CID 59824619) is hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate.
What is the SMILES notation for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate?
The canonical SMILES for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate is O=P(OOOOOOOOOOOOOOO)(OOOOOOOOOOOOOOOO)OC1C(O)[C@@H](O)C(O)C(O)[C@H]1O.
What is the InChIKey of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate?
The InChIKey is HBLGYXSLOVZUQM-OGSLJTBRSA-N. 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/t1?,2-,3?,4?,5+,6?,45?/m0/s1.
What are the key properties of hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate?
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate has a molecular weight of 724.11 g/mol, XLogP of -4.57, 31 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(2R,5S)-2,3,4,5,6-pentahydroxycyclohexyl] trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy phosphate is sourced from PubChem (CID 59824619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).