[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium

C14H21N5O6P+ — CID 11234580

IUPAC[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P+](=O)OC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N5O6P/c1-8-6-19(13(21)16-12(8)20)11-5-9(17-18-15)10(24-11)7-23-26(22)25-14(2,3)4/h6,9-11H,5,7H2,1-4H3/p+1/t9-,10+,11+/m0/s1
InChIKeyZOAQMUWYNGMXGA-HBNTYKKESA-O
MW386.33 g/mol
LogP2.30
Rot. Bonds6

About [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium (PubChem CID 11234580) has the molecular formula C14H21N5O6P+ and a molecular weight of 386.33 g/mol. Its IUPAC name is [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Name[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
PubChem CID11234580
Molecular FormulaC14H21N5O6P+
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Name[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium
SMILESCc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P+](=O)OC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N5O6P/c1-8-6-19(13(21)16-12(8)20)11-5-9(17-18-15)10(24-11)7-23-26(22)25-14(2,3)4/h6,9-11H,5,7H2,1-4H3/p+1/t9-,10+,11+/m0/s1
InChIKeyZOAQMUWYNGMXGA-HBNTYKKESA-O
XLogP2.30
TPSA148.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxido-oxophosphanium
CID 10917035
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-phenylmethoxyphosphanium
CID 11742911
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 22263506
1-[4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14311018
1-[(2S,4S,5S)-4-azido-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 150468637
[[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]-dihydroxymethyl]phosphonic acid
CID 59854292
bis[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hexanedioate
CID 175047875
[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 57301151
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-carbamoylphosphinic acid
CID 11703486
[(2S,3R,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 58981346
[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 16760307

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The IUPAC name of [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium (CID 11234580) is [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The canonical SMILES for [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium is Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P+](=O)OC(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
The InChIKey is ZOAQMUWYNGMXGA-HBNTYKKESA-O. The full InChI is InChI=1S/C14H20N5O6P/c1-8-6-19(13(21)16-12(8)20)11-5-9(17-18-15)10(24-11)7-23-26(22)25-14(2,3)4/h6,9-11H,5,7H2,1-4H3/p+1/t9-,10+,11+/m0/s1.
What are the key properties of [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium?
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium has a molecular weight of 386.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methylpropan-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 11234580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).