[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate

C7H13O5P — CID 134176711

IUPAC[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
SMILESC[C@@]12C[C@@H](COP(=O)(O)O)O[C@H]1C2
InChIInChI=1S/C7H13O5P/c1-7-2-5(12-6(7)3-7)4-11-13(8,9)10/h5-6H,2-4H2,1H3,(H2,8,9,10)/t5-,6-,7-/m0/s1
InChIKeyDCPQHADQIUOYAE-ACZMJKKPSA-N
MW208.15 g/mol
LogP0.66
Rot. Bonds3

About [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate

[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate (PubChem CID 134176711) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
PubChem CID134176711
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
SMILESC[C@@]12C[C@@H](COP(=O)(O)O)O[C@H]1C2
InChIInChI=1S/C7H13O5P/c1-7-2-5(12-6(7)3-7)4-11-13(8,9)10/h5-6H,2-4H2,1H3,(H2,8,9,10)/t5-,6-,7-/m0/s1
InChIKeyDCPQHADQIUOYAE-ACZMJKKPSA-N
XLogP0.66
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.66
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 [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate?
The IUPAC name of [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate (CID 134176711) is [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate is C[C@@]12C[C@@H](COP(=O)(O)O)O[C@H]1C2.
What is the InChIKey of [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate?
The InChIKey is DCPQHADQIUOYAE-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H13O5P/c1-7-2-5(12-6(7)3-7)4-11-13(8,9)10/h5-6H,2-4H2,1H3,(H2,8,9,10)/t5-,6-,7-/m0/s1.
What are the key properties of [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate?
[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate has a molecular weight of 208.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 134176711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).