[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid

C7H15O7P — CID 11492451

IUPAC[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
SMILESCCP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15O7P/c1-2-15(11,12)14-7-6(10)5(9)4(3-8)13-7/h4-10H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-/m1/s1
InChIKeyCUFRDFDYHKQMRM-DBRKOABJSA-N
MW242.16 g/mol
LogP-1.35
Rot. Bonds4

About [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid

[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid (PubChem CID 11492451) has the molecular formula C7H15O7P and a molecular weight of 242.16 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
PubChem CID11492451
Molecular FormulaC7H15O7P
Molecular Weight242.16 g/mol
Exact Mass242.06
IUPAC Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
SMILESCCP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15O7P/c1-2-15(11,12)14-7-6(10)5(9)4(3-8)13-7/h4-10H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-/m1/s1
InChIKeyCUFRDFDYHKQMRM-DBRKOABJSA-N
XLogP-1.35
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 5-1.35
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

[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid
CID 90691668
butyl-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphosphinic acid
CID 102251717
[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 134857855
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
tris[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 22137230
tris[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 67063061
tris[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 70126079
[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 20849130
sodium [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 23716114
[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] diphosphono phosphate
CID 87650480

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid?
The IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid (CID 11492451) is [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid?
The canonical SMILES for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid is CCP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid?
The InChIKey is CUFRDFDYHKQMRM-DBRKOABJSA-N. The full InChI is InChI=1S/C7H15O7P/c1-2-15(11,12)14-7-6(10)5(9)4(3-8)13-7/h4-10H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid?
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid has a molecular weight of 242.16 g/mol, XLogP of -1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-ethylphosphinic acid is sourced from PubChem (CID 11492451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).