[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate

C6H13O6P — CID 118244710

IUPAC[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
SMILESCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C6H13O6P/c1-10-13(8,9)12-5-2-3-11-6(5)4-7/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyJUUMTNBJNGIWJQ-PHDIDXHHSA-N
MW212.14 g/mol
LogP-0.10
Rot. Bonds4

About [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate

[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate (PubChem CID 118244710) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
PubChem CID118244710
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
SMILESCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C6H13O6P/c1-10-13(8,9)12-5-2-3-11-6(5)4-7/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyJUUMTNBJNGIWJQ-PHDIDXHHSA-N
XLogP-0.10
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[(2R,3S,4R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 131769914
[(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
[(2R,3R,4R)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 162679614
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
GlyTouCan:G46044MO
CID 44375890
2,5-anhydro-D-glucitol-6-phosphate
CID 10824166
Pentane-3,4-Diol-5-Phosphate
CID 657102

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate?
The IUPAC name of [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate (CID 118244710) is [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate.
What is the SMILES notation for [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate?
The canonical SMILES for [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate is COP(=O)(O)O[C@@H]1CCO[C@@H]1CO.
What is the InChIKey of [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate?
The InChIKey is JUUMTNBJNGIWJQ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13O6P/c1-10-13(8,9)12-5-2-3-11-6(5)4-7/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate?
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate has a molecular weight of 212.14 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate is sourced from PubChem (CID 118244710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).