[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

C7H14O12P3-3 — CID 59137937

IUPAC[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
SMILESCOC1CC(C)OC1COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O
InChIInChI=1S/C7H17O12P3/c1-5-3-6(15-2)7(17-5)4-16-21(11,12)19-22(13,14)18-20(8,9)10/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H2,8,9,10)/p-3
InChIKeyGHTTWYJARHGUSD-UHFFFAOYSA-K
MW383.10 g/mol
LogP-1.37
Rot. Bonds8

About [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate (PubChem CID 59137937) has the molecular formula C7H14O12P3-3 and a molecular weight of 383.10 g/mol. Its IUPAC name is [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate.

Molecular Properties

Compound Name[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
PubChem CID59137937
Molecular FormulaC7H14O12P3-3
Molecular Weight383.10 g/mol
Exact Mass382.97
IUPAC Name[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
SMILESCOC1CC(C)OC1COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O
InChIInChI=1S/C7H17O12P3/c1-5-3-6(15-2)7(17-5)4-16-21(11,12)19-22(13,14)18-20(8,9)10/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H2,8,9,10)/p-3
InChIKeyGHTTWYJARHGUSD-UHFFFAOYSA-K
XLogP-1.37
TPSA186.77 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
CID 163921692
[[[(2R,3R,5S)-3-(3-acetamido-1-azidopropoxy)-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 147696534
[[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride
CID 163869365
CID 58593490
CID 58593490
[[[(2R,5R)-3-methoxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 147859884
hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
CID 159122969
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 11049564
CID 158393063
CID 158393063
(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate
CID 58831606
(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
CID 165043855

Frequently Asked Questions

What is the IUPAC name of [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?
The IUPAC name of [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate (CID 59137937) is [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate.
What is the SMILES notation for [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?
The canonical SMILES for [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate is COC1CC(C)OC1COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O.
What is the InChIKey of [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?
The InChIKey is GHTTWYJARHGUSD-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H17O12P3/c1-5-3-6(15-2)7(17-5)4-16-21(11,12)19-22(13,14)18-20(8,9)10/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H2,8,9,10)/p-3.
What are the key properties of [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate?
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate has a molecular weight of 383.10 g/mol, XLogP of -1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate is sourced from PubChem (CID 59137937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).