(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol

C18H21O3P — CID 101017151

IUPAC(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
SMILESO[C@H]1[C@H](O)CCO[C@@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c19-16-11-12-21-17(18(16)20)13-22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20H,11-13H2/t16-,17-,18+/m1/s1
InChIKeyGZLCZONYOIAFTD-KURKYZTESA-N
MW316.34 g/mol
LogP1.63
Rot. Bonds4

About (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol

(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol (PubChem CID 101017151) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
PubChem CID101017151
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
SMILESO[C@H]1[C@H](O)CCO[C@@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O3P/c19-16-11-12-21-17(18(16)20)13-22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20H,11-13H2/t16-,17-,18+/m1/s1
InChIKeyGZLCZONYOIAFTD-KURKYZTESA-N
XLogP1.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol?
The IUPAC name of (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol (CID 101017151) is (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol is O[C@H]1[C@H](O)CCO[C@@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol?
The InChIKey is GZLCZONYOIAFTD-KURKYZTESA-N. The full InChI is InChI=1S/C18H21O3P/c19-16-11-12-21-17(18(16)20)13-22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-20H,11-13H2/t16-,17-,18+/m1/s1.
What are the key properties of (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol?
(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol has a molecular weight of 316.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol is sourced from PubChem (CID 101017151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).