[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate

C3H9N2O5P — CID 86580344

IUPAC[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate
SMILESN[C@@H]1CONC1OP(=O)(O)O
InChIInChI=1S/C3H9N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2-3,5H,1,4H2,(H2,6,7,8)/t2-,3?/m1/s1
InChIKeyKLZOYPYBJZUINX-STYMGOOTSA-N
MW184.09 g/mol
LogP-1.72
Rot. Bonds2

About [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate

[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate (PubChem CID 86580344) has the molecular formula C3H9N2O5P and a molecular weight of 184.09 g/mol. Its IUPAC name is [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate
PubChem CID86580344
Molecular FormulaC3H9N2O5P
Molecular Weight184.09 g/mol
Exact Mass184.02
IUPAC Name[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate
SMILESN[C@@H]1CONC1OP(=O)(O)O
InChIInChI=1S/C3H9N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2-3,5H,1,4H2,(H2,6,7,8)/t2-,3?/m1/s1
InChIKeyKLZOYPYBJZUINX-STYMGOOTSA-N
XLogP-1.72
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
CID 115
[(1R,2S,4R,5R)-3-amino-2,4,5,6-tetraphosphonooxycyclohexyl] dihydrogen phosphate
CID 10907989
[(3S,5R)-3,5-diphosphonooxyoxan-4-yl] dihydrogen phosphate
CID 141242821
(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate;phosphane
CID 87060873
(2-amino-4-hydroxycyclopentyl) dihydrogen phosphate
CID 45098875
Phytic acid dimagnesium tetrapotassium salt, ~95%
CID 71308444
2-oxabicyclo[1.1.0]butan-4-yl dihydrogen phosphate
CID 118933122
(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
CID 477
[(1R,2R,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 11762822
[(1R,2S,3S,4R,5S,6R)-2,3-dimethyl-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 129040517
[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 22884854
[(1S,3R,4R,6R)-3-[hydroxy(phosphonooxy)phosphoryl]oxy-2,4,5,6-tetraphosphonooxycyclohexyl] phosphono hydrogen phosphate
CID 45479489

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate?
The IUPAC name of [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate (CID 86580344) is [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate?
The canonical SMILES for [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate is N[C@@H]1CONC1OP(=O)(O)O.
What is the InChIKey of [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate?
The InChIKey is KLZOYPYBJZUINX-STYMGOOTSA-N. The full InChI is InChI=1S/C3H9N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2-3,5H,1,4H2,(H2,6,7,8)/t2-,3?/m1/s1.
What are the key properties of [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate?
[(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate has a molecular weight of 184.09 g/mol, XLogP of -1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-1,2-oxazolidin-3-yl] dihydrogen phosphate is sourced from PubChem (CID 86580344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).