[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C6H10FO12P3-4 — CID 59905592

IUPAC[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESC[C@H]1CC(O)[C@@](F)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C6H14FO12P3/c1-4-2-5(8)6(7,17-4)3-16-21(12,13)19-22(14,15)18-20(9,10)11/h4-5,8H,2-3H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-4/t4-,5?,6+/m0/s1
InChIKeyGAVJHYNACOTWJZ-NOWQFEBASA-J
MW386.05 g/mol
LogP-2.36
Rot. Bonds7

About [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 59905592) has the molecular formula C6H10FO12P3-4 and a molecular weight of 386.05 g/mol. Its IUPAC name is [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID59905592
Molecular FormulaC6H10FO12P3-4
Molecular Weight386.05 g/mol
Exact Mass385.94
IUPAC Name[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESC[C@H]1CC(O)[C@@](F)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C6H14FO12P3/c1-4-2-5(8)6(7,17-4)3-16-21(12,13)19-22(14,15)18-20(9,10)11/h4-5,8H,2-3H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-4/t4-,5?,6+/m0/s1
InChIKeyGAVJHYNACOTWJZ-NOWQFEBASA-J
XLogP-2.36
TPSA200.60 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.05
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[[[(2R,5S)-2-(aminomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59905522
[[[(2R,3R,5S)-2-(azidomethyl)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59914489
[[(1,2-dihydroxy-4-methylcyclopentyl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 23390087
[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 22965167
[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
CID 135053951
tetrasodium;[[[(2S,3S,5R)-2,3-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 175896856
[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methylamino]-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 59905576
[[[(2S,3S,4R,5R)-5-(4-amino-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-2-fluoro-3,4-dihydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 140875573
tetraazanium;[[[(2R,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 140691995
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
calcium [(2R,3S)-2-ethynyl-3,5-dihydroxyoxolan-2-yl]methyl phosphate
CID 154720211

Frequently Asked Questions

What is the IUPAC name of [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 59905592) is [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is C[C@H]1CC(O)[C@@](F)(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1.
What is the InChIKey of [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is GAVJHYNACOTWJZ-NOWQFEBASA-J. The full InChI is InChI=1S/C6H14FO12P3/c1-4-2-5(8)6(7,17-4)3-16-21(12,13)19-22(14,15)18-20(9,10)11/h4-5,8H,2-3H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/p-4/t4-,5?,6+/m0/s1.
What are the key properties of [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 386.05 g/mol, XLogP of -2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 59905592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).