[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate

C5H9O7P-2 — CID 23419734

IUPAC[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
SMILESO=P([O-])([O-])O[C@@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4+,5+/m0/s1
InChIKeyKBDKAJNTYKVSEK-VPENINKCSA-L
MW212.09 g/mol
LogP-2.70
Rot. Bonds3

About [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate

[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate (PubChem CID 23419734) has the molecular formula C5H9O7P-2 and a molecular weight of 212.09 g/mol. Its IUPAC name is [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate.

Molecular Properties

Compound Name[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
PubChem CID23419734
Molecular FormulaC5H9O7P-2
Molecular Weight212.09 g/mol
Exact Mass212.01
IUPAC Name[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
SMILESO=P([O-])([O-])O[C@@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4+,5+/m0/s1
InChIKeyKBDKAJNTYKVSEK-VPENINKCSA-L
XLogP-2.70
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The IUPAC name of [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate (CID 23419734) is [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate.
What is the SMILES notation for [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The canonical SMILES for [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate is O=P([O-])([O-])O[C@@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
The InChIKey is KBDKAJNTYKVSEK-VPENINKCSA-L. The full InChI is InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4+,5+/m0/s1.
What are the key properties of [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate?
[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate has a molecular weight of 212.09 g/mol, XLogP of -2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate is sourced from PubChem (CID 23419734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).