[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate

C10H16N3O6P — CID 130458181

IUPAC[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H16N3O6P/c1-17-20(15,16)18-6-7-2-3-9(19-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1
InChIKeyNNXHRTGBIFAXSQ-IONNQARKSA-N
MW305.23 g/mol
LogP0.27
Rot. Bonds5

About [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate

[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate (PubChem CID 130458181) has the molecular formula C10H16N3O6P and a molecular weight of 305.23 g/mol. Its IUPAC name is [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
PubChem CID130458181
Molecular FormulaC10H16N3O6P
Molecular Weight305.23 g/mol
Exact Mass305.08
IUPAC Name[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H16N3O6P/c1-17-20(15,16)18-6-7-2-3-9(19-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1
InChIKeyNNXHRTGBIFAXSQ-IONNQARKSA-N
XLogP0.27
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;azane
CID 51051540
[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 129117968
[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 90708490
[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;azane
CID 51051543
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
CID 14755650
tetralithium;[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171034938
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate?
The IUPAC name of [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate (CID 130458181) is [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate.
What is the SMILES notation for [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate?
The canonical SMILES for [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate is COP(=O)(O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate?
The InChIKey is NNXHRTGBIFAXSQ-IONNQARKSA-N. The full InChI is InChI=1S/C10H16N3O6P/c1-17-20(15,16)18-6-7-2-3-9(19-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate?
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate has a molecular weight of 305.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate is sourced from PubChem (CID 130458181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).