[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium

C12H14O5P+ — CID 118100619

IUPAC[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium
SMILESO=[P+](O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O)c1ccccc1
InChIInChI=1S/C12H14O5P/c13-9-6-15-12-10(7-16-11(9)12)17-18(14)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/q+1/t9-,10+,11+,12+/m0/s1
InChIKeyYIVDXZJHZYHIBN-IRCOFANPSA-N
MW269.21 g/mol
LogP0.60
Rot. Bonds3

About [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium

[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium (PubChem CID 118100619) has the molecular formula C12H14O5P+ and a molecular weight of 269.21 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium
PubChem CID118100619
Molecular FormulaC12H14O5P+
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium
SMILESO=[P+](O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O)c1ccccc1
InChIInChI=1S/C12H14O5P/c13-9-6-15-12-10(7-16-11(9)12)17-18(14)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/q+1/t9-,10+,11+,12+/m0/s1
InChIKeyYIVDXZJHZYHIBN-IRCOFANPSA-N
XLogP0.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium?
The IUPAC name of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium (CID 118100619) is [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium.
What is the SMILES notation for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium?
The canonical SMILES for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium is O=[P+](O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O)c1ccccc1.
What is the InChIKey of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium?
The InChIKey is YIVDXZJHZYHIBN-IRCOFANPSA-N. The full InChI is InChI=1S/C12H14O5P/c13-9-6-15-12-10(7-16-11(9)12)17-18(14)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/q+1/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium has a molecular weight of 269.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium is sourced from PubChem (CID 118100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).