[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

C5H11FO9P2 — CID 162679614

IUPAC[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OC[C@H]1OC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1
InChIKeyJLUFHMADAUUBBV-WDCZJNDASA-N
MW296.08 g/mol
LogP-0.69
Rot. Bonds5

About [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 162679614) has the molecular formula C5H11FO9P2 and a molecular weight of 296.08 g/mol. Its IUPAC name is [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
PubChem CID162679614
Molecular FormulaC5H11FO9P2
Molecular Weight296.08 g/mol
Exact Mass295.99
IUPAC Name[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OC[C@H]1OC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1
InChIKeyJLUFHMADAUUBBV-WDCZJNDASA-N
XLogP-0.69
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Fructose 1,6-bisphosphate
CID 445555
[[(2R,3S,4R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 131769914
GlyTouCan:G25042NR
CID 445556
[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 447843
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 5289299
2,5-Anhydromannitol 1-phosphate
CID 189134
1,2-Dideoxyribofuranose-5-phosphate
CID 448058
Phosphoric acid mono-((3S,4R,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl) ester
CID 44300448
1-Deoxy-Ribofuranose-5'-Phosphate
CID 445796
[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 448310
2,5-anhydro-D-glucitol-6-phosphate
CID 10824166
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 1495

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The IUPAC name of [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (CID 162679614) is [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
What is the SMILES notation for [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The canonical SMILES for [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OC[C@H]1OC[C@@H](F)[C@@H]1O.
What is the InChIKey of [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The InChIKey is JLUFHMADAUUBBV-WDCZJNDASA-N. The full InChI is InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1.
What are the key properties of [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 296.08 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 162679614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).