[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate

C5H11O6P — CID 69118795

IUPAC[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C5H11O6P/c6-3-4-1-2-5(10-4)11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
InChIKeyXYWDMVGRKLPPRF-CRCLSJGQSA-N
MW198.11 g/mol
LogP-0.41
Rot. Bonds3

About [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate

[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate (PubChem CID 69118795) has the molecular formula C5H11O6P and a molecular weight of 198.11 g/mol. Its IUPAC name is [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
PubChem CID69118795
Molecular FormulaC5H11O6P
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C5H11O6P/c6-3-4-1-2-5(10-4)11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
InChIKeyXYWDMVGRKLPPRF-CRCLSJGQSA-N
XLogP-0.41
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate?
The IUPAC name of [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate (CID 69118795) is [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate is O=P(O)(O)O[C@@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate?
The InChIKey is XYWDMVGRKLPPRF-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11O6P/c6-3-4-1-2-5(10-4)11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1.
What are the key properties of [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate?
[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate has a molecular weight of 198.11 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 69118795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).