[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium

C10H15N2O13P3 — CID 163518338

IUPAC[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium
SMILESCc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O[P+](=O)[O-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O13P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-27(18,19)25-28(20,21)24-26(16)17/h3,6-8,13H,2,4H2,1H3,(H,18,19)(H,20,21)(H,11,14,15)
InChIKeyJPSJLJLFFGPKFX-UHFFFAOYSA-N
MW464.15 g/mol
LogP-1.24
Rot. Bonds8

About [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium

[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium (PubChem CID 163518338) has the molecular formula C10H15N2O13P3 and a molecular weight of 464.15 g/mol. Its IUPAC name is [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium.

Molecular Properties

Compound Name[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium
PubChem CID163518338
Molecular FormulaC10H15N2O13P3
Molecular Weight464.15 g/mol
Exact Mass463.98
IUPAC Name[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium
SMILESCc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O[P+](=O)[O-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O13P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-27(18,19)25-28(20,21)24-26(16)17/h3,6-8,13H,2,4H2,1H3,(H,18,19)(H,20,21)(H,11,14,15)
InChIKeyJPSJLJLFFGPKFX-UHFFFAOYSA-N
XLogP-1.24
TPSA226.74 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] propyl hydrogen phosphate
CID 88558513
[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo(1,3-15N2)pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 169494030
[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;methane
CID 159476288
[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 92974145
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] pentyl hydrogen phosphate
CID 175676040
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
[dibromo-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxymethyl]phosphonic acid
CID 101038597
[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] prop-2-ynyl hydrogen phosphate
CID 87854987
CID 18531019
CID 18531019

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium?
The IUPAC name of [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium (CID 163518338) is [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium.
What is the SMILES notation for [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium?
The canonical SMILES for [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium is Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O[P+](=O)[O-])O2)c(=O)[nH]c1=O.
What is the InChIKey of [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium?
The InChIKey is JPSJLJLFFGPKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O13P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-27(18,19)25-28(20,21)24-26(16)17/h3,6-8,13H,2,4H2,1H3,(H,18,19)(H,20,21)(H,11,14,15).
What are the key properties of [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium?
[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium has a molecular weight of 464.15 g/mol, XLogP of -1.24, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-oxido-oxophosphanium is sourced from PubChem (CID 163518338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).