ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

C7H15O6P — CID 130330647

IUPACethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SMILESCCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeySXLJOKCIVJFRQC-RNFRBKRXSA-N
MW226.16 g/mol
LogP0.29
Rot. Bonds5

About ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate (PubChem CID 130330647) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.

Molecular Properties

Compound Nameethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
PubChem CID130330647
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Nameethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SMILESCCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO
InChIInChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeySXLJOKCIVJFRQC-RNFRBKRXSA-N
XLogP0.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
CID 88941325
CID 88941325
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914
6-aminohexyl [(2R)-2-(hydroperoxymethyl)oxolan-3-yl] hydrogen phosphate
CID 90078312
hydroxy-[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxophosphanium
CID 177282139
(2R)-2-[[[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-[(E)-pent-3-enyl]sulfanylphosphoryl]oxymethyl]oxolan-3-ol
CID 161283653
[(2R,3S)-2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-cyanoethyl ethyl phosphate
CID 10789220
tert-butyl 3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxypropyl hydrogen phosphate
CID 165163699
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651

Frequently Asked Questions

What is the IUPAC name of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The IUPAC name of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate (CID 130330647) is ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
What is the SMILES notation for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The canonical SMILES for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate is CCOP(=O)(O)O[C@@H]1CCO[C@@H]1CO.
What is the InChIKey of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
The InChIKey is SXLJOKCIVJFRQC-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15O6P/c1-2-12-14(9,10)13-6-3-4-11-7(6)5-8/h6-8H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate?
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate has a molecular weight of 226.16 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 130330647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).