[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate

C7H14O6P- — CID 140824432

IUPAC[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
SMILESCOC[C@H]1OCC[C@@H]1OP(=O)([O-])OC
InChIInChI=1S/C7H15O6P/c1-10-5-7-6(3-4-12-7)13-14(8,9)11-2/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1/t6-,7+/m0/s1
InChIKeyPFIWAMCNJVZOBN-NKWVEPMBSA-M
MW225.16 g/mol
LogP-0.08
Rot. Bonds5

About [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate

[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate (PubChem CID 140824432) has the molecular formula C7H14O6P- and a molecular weight of 225.16 g/mol. Its IUPAC name is [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate.

Molecular Properties

Compound Name[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
PubChem CID140824432
Molecular FormulaC7H14O6P-
Molecular Weight225.16 g/mol
Exact Mass225.05
IUPAC Name[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
SMILESCOC[C@H]1OCC[C@@H]1OP(=O)([O-])OC
InChIInChI=1S/C7H15O6P/c1-10-5-7-6(3-4-12-7)13-14(8,9)11-2/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1/t6-,7+/m0/s1
InChIKeyPFIWAMCNJVZOBN-NKWVEPMBSA-M
XLogP-0.08
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 153458816
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
CID 88941325
CID 88941325
(2R)-3-methoxy-2-(methoxymethyl)oxane
CID 169023835
(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane
CID 167605809
(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one
CID 144998853
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
CID 174118385
[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 153458803
[(2R,3S)-2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-cyanoethyl ethyl phosphate
CID 10789220
methyl N-[3-hydroxy-5-[hydroxy-[[(2R)-3-[hydroxy(methoxy)phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxypentyl]carbamate
CID 118941018

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate?
The IUPAC name of [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate (CID 140824432) is [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate.
What is the SMILES notation for [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate?
The canonical SMILES for [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate is COC[C@H]1OCC[C@@H]1OP(=O)([O-])OC.
What is the InChIKey of [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate?
The InChIKey is PFIWAMCNJVZOBN-NKWVEPMBSA-M. The full InChI is InChI=1S/C7H15O6P/c1-10-5-7-6(3-4-12-7)13-14(8,9)11-2/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1/t6-,7+/m0/s1.
What are the key properties of [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate?
[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate has a molecular weight of 225.16 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate is sourced from PubChem (CID 140824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).