ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium

C11H18N2O5PY- — CID 173489446

IUPACethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium
SMILESO=c1nc(O)ccn1[C@H]1C[C@@H](O)[C@@H](COP)O1.[CH2-]C.[Y]
InChIInChI=1S/C9H13N2O5P.C2H5.Y/c12-5-3-8(16-6(5)4-15-17)11-2-1-7(13)10-9(11)14;1-2;/h1-2,5-6,8,12H,3-4,17H2,(H,10,13,14);1H2,2H3;/q;-1;/t5-,6-,8-;;/m1../s1
InChIKeyXYZODJPAZQEJBR-WIXFYVQFSA-N
MW378.15 g/mol
LogP0.24
Rot. Bonds3

About ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium

ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium (PubChem CID 173489446) has the molecular formula C11H18N2O5PY- and a molecular weight of 378.15 g/mol. Its IUPAC name is ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium.

Molecular Properties

Compound Nameethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium
PubChem CID173489446
Molecular FormulaC11H18N2O5PY-
Molecular Weight378.15 g/mol
Exact Mass378.00
IUPAC Nameethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium
SMILESO=c1nc(O)ccn1[C@H]1C[C@@H](O)[C@@H](COP)O1.[CH2-]C.[Y]
InChIInChI=1S/C9H13N2O5P.C2H5.Y/c12-5-3-8(16-6(5)4-15-17)11-2-1-7(13)10-9(11)14;1-2;/h1-2,5-6,8,12H,3-4,17H2,(H,10,13,14);1H2,2H3;/q;-1;/t5-,6-,8-;;/m1../s1
InChIKeyXYZODJPAZQEJBR-WIXFYVQFSA-N
XLogP0.24
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153405657
[(2S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 59909231
[(3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate
CID 58597107
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 57011144
4-amino-1-[(2R,4S,5R)-5-[[amino(hydroxy)phosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 67722276
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium?
The IUPAC name of ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium (CID 173489446) is ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium.
What is the SMILES notation for ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium?
The canonical SMILES for ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium is O=c1nc(O)ccn1[C@H]1C[C@@H](O)[C@@H](COP)O1.[CH2-]C.[Y].
What is the InChIKey of ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium?
The InChIKey is XYZODJPAZQEJBR-WIXFYVQFSA-N. The full InChI is InChI=1S/C9H13N2O5P.C2H5.Y/c12-5-3-8(16-6(5)4-15-17)11-2-1-7(13)10-9(11)14;1-2;/h1-2,5-6,8,12H,3-4,17H2,(H,10,13,14);1H2,2H3;/q;-1;/t5-,6-,8-;;/m1../s1.
What are the key properties of ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium?
ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium has a molecular weight of 378.15 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium is sourced from PubChem (CID 173489446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).