[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate

C6H15O8P — CID 54575349

IUPAC[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
SMILESO=P(O)(OC[C@H](O)CO)OC[C@@H](O)CO
InChIInChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+
InChIKeyLLCSXHMJULHSJN-OLQVQODUSA-N
MW246.15 g/mol
LogP-2.17
Rot. Bonds8

About [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate

[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate (PubChem CID 54575349) has the molecular formula C6H15O8P and a molecular weight of 246.15 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
PubChem CID54575349
Molecular FormulaC6H15O8P
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
SMILESO=P(O)(OC[C@H](O)CO)OC[C@@H](O)CO
InChIInChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+
InChIKeyLLCSXHMJULHSJN-OLQVQODUSA-N
XLogP-2.17
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate (CID 54575349) is [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate is O=P(O)(OC[C@H](O)CO)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate?
The InChIKey is LLCSXHMJULHSJN-OLQVQODUSA-N. The full InChI is InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+.
What are the key properties of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate?
[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate has a molecular weight of 246.15 g/mol, XLogP of -2.17, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate is sourced from PubChem (CID 54575349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).