[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate

C6H11O7P — CID 130980003

IUPAC[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1C2O[C@H]1CC(O)[C@@H]2O
InChIInChI=1S/C6H11O7P/c7-2-1-3-5(13-14(9,10)11)6(12-3)4(2)8/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?,6?/m0/s1
InChIKeyJOGKDDFANICXQE-UZJJNQGWSA-N
MW226.12 g/mol
LogP-1.64
Rot. Bonds2

About [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate

[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate (PubChem CID 130980003) has the molecular formula C6H11O7P and a molecular weight of 226.12 g/mol. Its IUPAC name is [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate
PubChem CID130980003
Molecular FormulaC6H11O7P
Molecular Weight226.12 g/mol
Exact Mass226.02
IUPAC Name[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1C2O[C@H]1CC(O)[C@@H]2O
InChIInChI=1S/C6H11O7P/c7-2-1-3-5(13-14(9,10)11)6(12-3)4(2)8/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?,6?/m0/s1
InChIKeyJOGKDDFANICXQE-UZJJNQGWSA-N
XLogP-1.64
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
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 [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate?
The IUPAC name of [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate (CID 130980003) is [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate.
What is the SMILES notation for [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate?
The canonical SMILES for [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate is O=P(O)(O)OC1C2O[C@H]1CC(O)[C@@H]2O.
What is the InChIKey of [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate?
The InChIKey is JOGKDDFANICXQE-UZJJNQGWSA-N. The full InChI is InChI=1S/C6H11O7P/c7-2-1-3-5(13-14(9,10)11)6(12-3)4(2)8/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?,6?/m0/s1.
What are the key properties of [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate?
[(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate has a molecular weight of 226.12 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,3-dihydroxy-6-oxabicyclo[3.1.1]heptan-7-yl] dihydrogen phosphate is sourced from PubChem (CID 130980003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).