[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid

C10H16N3O8P — CID 59795978

IUPAC[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
SMILESC[C@@]1(n2ccc(N)nc2=O)O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H16N3O8P/c1-10(13-3-2-5(11)12-9(13)16)7(15)6(14)8(21-10)20-4-22(17,18)19/h2-3,6-8,14-15H,4H2,1H3,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8-,10+/m0/s1
InChIKeyONAZSRBNKUBFFW-PYHGXSLLSA-N
MW337.23 g/mol
LogP-2.27
Rot. Bonds4

About [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid (PubChem CID 59795978) has the molecular formula C10H16N3O8P and a molecular weight of 337.23 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
PubChem CID59795978
Molecular FormulaC10H16N3O8P
Molecular Weight337.23 g/mol
Exact Mass337.07
IUPAC Name[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
SMILESC[C@@]1(n2ccc(N)nc2=O)O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H16N3O8P/c1-10(13-3-2-5(11)12-9(13)16)7(15)6(14)8(21-10)20-4-22(17,18)19/h2-3,6-8,14-15H,4H2,1H3,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8-,10+/m0/s1
InChIKeyONAZSRBNKUBFFW-PYHGXSLLSA-N
XLogP-2.27
TPSA177.36 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
CID 102277753
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 170160648
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
CID 67784718
(2S,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-2-carboxylic acid
CID 172720492
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-(3-aminoprop-2-enyl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 140528529
[(2S,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy hypobromite
CID 150136971
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]pyrimidin-2-one
CID 154134137
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 21115981
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 165408738
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-5-methyl-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 118718719

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid (CID 59795978) is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid is C[C@@]1(n2ccc(N)nc2=O)O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid?
The InChIKey is ONAZSRBNKUBFFW-PYHGXSLLSA-N. The full InChI is InChI=1S/C10H16N3O8P/c1-10(13-3-2-5(11)12-9(13)16)7(15)6(14)8(21-10)20-4-22(17,18)19/h2-3,6-8,14-15H,4H2,1H3,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8-,10+/m0/s1.
What are the key properties of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid?
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid has a molecular weight of 337.23 g/mol, XLogP of -2.27, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 59795978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).