[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid

C8H15O6P — CID 140619363

IUPAC[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid
SMILES[3H][C@@H]1O[C@@]2(COC)CO[C@H]1C2OP(C)(=O)O
InChIInChI=1S/C8H15O6P/c1-11-4-8-5-12-6(3-13-8)7(8)14-15(2,9)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?,8+/m1/s1/i3T/t3-,6+,7?,8-/m0
InChIKeyILKVRVPLZJNGJH-PBWDYBCOSA-N
MW240.18 g/mol
LogP0.00
Rot. Bonds4

About [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid

[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid (PubChem CID 140619363) has the molecular formula C8H15O6P and a molecular weight of 240.18 g/mol. Its IUPAC name is [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid
PubChem CID140619363
Molecular FormulaC8H15O6P
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid
SMILES[3H][C@@H]1O[C@@]2(COC)CO[C@H]1C2OP(C)(=O)O
InChIInChI=1S/C8H15O6P/c1-11-4-8-5-12-6(3-13-8)7(8)14-15(2,9)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?,8+/m1/s1/i3T/t3-,6+,7?,8-/m0
InChIKeyILKVRVPLZJNGJH-PBWDYBCOSA-N
XLogP0.00
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.00
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 [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid?
The IUPAC name of [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid (CID 140619363) is [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid?
The canonical SMILES for [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid is [3H][C@@H]1O[C@@]2(COC)CO[C@H]1C2OP(C)(=O)O.
What is the InChIKey of [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid?
The InChIKey is ILKVRVPLZJNGJH-PBWDYBCOSA-N. The full InChI is InChI=1S/C8H15O6P/c1-11-4-8-5-12-6(3-13-8)7(8)14-15(2,9)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?,8+/m1/s1/i3T/t3-,6+,7?,8-/m0.
What are the key properties of [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid?
[(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid has a molecular weight of 240.18 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R)-1-(methoxymethyl)-3-tritio-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 140619363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).