[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium

C6H14O10P3+ — CID 154937620

IUPAC[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium
SMILESCC1CCC(CO[P+](=O)OP(=O)(O)OP(=O)(O)O)O1
InChIInChI=1S/C6H13O10P3/c1-5-2-3-6(14-5)4-13-17(7)15-19(11,12)16-18(8,9)10/h5-6H,2-4H2,1H3,(H2-,8,9,10,11,12)/p+1
InChIKeyAERKYSIORMWBHR-UHFFFAOYSA-O
MW339.09 g/mol
LogP1.45
Rot. Bonds7

About [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium

[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium (PubChem CID 154937620) has the molecular formula C6H14O10P3+ and a molecular weight of 339.09 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium
PubChem CID154937620
Molecular FormulaC6H14O10P3+
Molecular Weight339.09 g/mol
Exact Mass338.98
IUPAC Name[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium
SMILESCC1CCC(CO[P+](=O)OP(=O)(O)OP(=O)(O)O)O1
InChIInChI=1S/C6H13O10P3/c1-5-2-3-6(14-5)4-13-17(7)15-19(11,12)16-18(8,9)10/h5-6H,2-4H2,1H3,(H2-,8,9,10,11,12)/p+1
InChIKeyAERKYSIORMWBHR-UHFFFAOYSA-O
XLogP1.45
TPSA148.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.09
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-methyloxolan-2-yl]methoxythallium
CID 142985818
[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511222
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
diphosphono hydrogen phosphate;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 22823627
[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxy-oxophosphanium
CID 87470182
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxy-oxophosphanium
CID 173366635
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
[[(5R)-5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 166734192
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
CID 174319424
CID 174319424
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium (CID 154937620) is [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium is CC1CCC(CO[P+](=O)OP(=O)(O)OP(=O)(O)O)O1.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium?
The InChIKey is AERKYSIORMWBHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13O10P3/c1-5-2-3-6(14-5)4-13-17(7)15-19(11,12)16-18(8,9)10/h5-6H,2-4H2,1H3,(H2-,8,9,10,11,12)/p+1.
What are the key properties of [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium?
[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium has a molecular weight of 339.09 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium is sourced from PubChem (CID 154937620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).