[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C6H9F2O12P3-4 — CID 22965167

IUPAC[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCC1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1(F)F
InChIInChI=1S/C6H13F2O12P3/c1-3-6(7,8)5(9)4(18-3)2-17-22(13,14)20-23(15,16)19-21(10,11)12/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4
InChIKeyCDFLKDIVMJYKLK-UHFFFAOYSA-J
MW404.04 g/mol
LogP-2.41
Rot. Bonds7

About [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 22965167) has the molecular formula C6H9F2O12P3-4 and a molecular weight of 404.04 g/mol. Its IUPAC name is [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID22965167
Molecular FormulaC6H9F2O12P3-4
Molecular Weight404.04 g/mol
Exact Mass403.93
IUPAC Name[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCC1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1(F)F
InChIInChI=1S/C6H13F2O12P3/c1-3-6(7,8)5(9)4(18-3)2-17-22(13,14)20-23(15,16)19-21(10,11)12/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4
InChIKeyCDFLKDIVMJYKLK-UHFFFAOYSA-J
XLogP-2.41
TPSA200.60 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.04
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 175663004
[[[(2S,5S)-2-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 59905592
tetralithium;[[[3,4-dihydroxy-5-(5-methoxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323127
[[[3-hydroxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323205
[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 7058166
[[[5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171329325
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
[[(1,2-dihydroxy-4-methylcyclopentyl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 23390087
tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 138454064
trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 11049564
tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323135
trisodium;[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 178189821

Frequently Asked Questions

What is the IUPAC name of [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 22965167) is [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is CC1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1(F)F.
What is the InChIKey of [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is CDFLKDIVMJYKLK-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H13F2O12P3/c1-3-6(7,8)5(9)4(18-3)2-17-22(13,14)20-23(15,16)19-21(10,11)12/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)(H2,10,11,12)/p-4.
What are the key properties of [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
[[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 404.04 g/mol, XLogP of -2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4,4-difluoro-3-hydroxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 22965167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).