[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate

C5H12FO5P — CID 10998059

IUPAC[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H](F)CO
InChIInChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyOVOALNICHSEMFS-YFKPBYRVSA-N
MW202.12 g/mol
LogP0.73
Rot. Bonds6

About [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate

[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate (PubChem CID 10998059) has the molecular formula C5H12FO5P and a molecular weight of 202.12 g/mol. Its IUPAC name is [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate.

Molecular Properties

Compound Name[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate
PubChem CID10998059
Molecular FormulaC5H12FO5P
Molecular Weight202.12 g/mol
Exact Mass202.04
IUPAC Name[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC[C@@H](F)CO
InChIInChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyOVOALNICHSEMFS-YFKPBYRVSA-N
XLogP0.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediol, 1-(dihydrogen phosphate)
CID 151809
2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
Diethyl (1,1-difluoro-3-hydroxypropyl)phosphonate
CID 89622261
(1,1-Difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium
CID 162541390
(2-Fluoro-3-hydroxy-2-methylpropoxy)-methyl-oxophosphanium
CID 169581803
[Fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite
CID 174274078
Fluoro 3-hydroxypropyl hydrogen phosphate
CID 174652733
Fluoro(3-hydroxypropoxy)phosphinic acid
CID 178182615
3-Hydroxypropyl dimethyl phosphate
CID 14840641
Diethyl 3-hydroxypropyl phosphate
CID 14840642
[(2R)-2-fluoro-3-hydroxypropyl] dimethyl phosphate
CID 11084881
(2-Fluoro-3-hydroxypropyl) dimethyl phosphate
CID 23236859

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate?
The IUPAC name of [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate (CID 10998059) is [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate.
What is the SMILES notation for [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate?
The canonical SMILES for [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate is COP(=O)(OC)OC[C@@H](F)CO.
What is the InChIKey of [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate?
The InChIKey is OVOALNICHSEMFS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate?
[(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate has a molecular weight of 202.12 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluoro-3-hydroxypropyl] dimethyl phosphate is sourced from PubChem (CID 10998059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).