[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten

C20H26N3O10PW — CID 158415802

IUPAC[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten
SMILESCNC(=O)OCc1ccc(OP(C)(=O)OC2C(OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)cc1.[W]
InChIInChI=1S/C20H26N3O10P.W/c1-21-20(27)30-11-12-4-6-13(7-5-12)32-34(3,28)33-16-14(10-24)31-18(17(16)29-2)23-9-8-15(25)22-19(23)26;/h4-9,14,16-18,24H,10-11H2,1-3H3,(H,21,27)(H,22,25,26);/t14-,16?,17?,18-,34?;/m1./s1
InChIKeyPLEZFSXCAYDFCH-YCQSMASOSA-N
MW683.25 g/mol
LogP0.58
Rot. Bonds9

About [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten

[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten (PubChem CID 158415802) has the molecular formula C20H26N3O10PW and a molecular weight of 683.25 g/mol. Its IUPAC name is [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten.

Molecular Properties

Compound Name[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten
PubChem CID158415802
Molecular FormulaC20H26N3O10PW
Molecular Weight683.25 g/mol
Exact Mass683.09
IUPAC Name[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten
SMILESCNC(=O)OCc1ccc(OP(C)(=O)OC2C(OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)cc1.[W]
InChIInChI=1S/C20H26N3O10P.W/c1-21-20(27)30-11-12-4-6-13(7-5-12)32-34(3,28)33-16-14(10-24)31-18(17(16)29-2)23-9-8-15(25)22-19(23)26;/h4-9,14,16-18,24H,10-11H2,1-3H3,(H,21,27)(H,22,25,26);/t14-,16?,17?,18-,34?;/m1./s1
InChIKeyPLEZFSXCAYDFCH-YCQSMASOSA-N
XLogP0.58
TPSA167.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten with MolForge

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Related Compounds

1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,3R,4R,5S)-4-amino-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 168819412
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate
CID 11766242
[5-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(methyl)phosphinothioyl]oxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 155136392
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] 4-oxopentanoate
CID 90208367
1-[(2S,4R)-2-(hydroxymethyl)-5-methoxy-3-oxabicyclo[4.1.0]heptan-4-yl]pyrimidine-2,4-dione
CID 174002533
1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-methoxy-4-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 170333749
1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten?
The IUPAC name of [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten (CID 158415802) is [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten.
What is the SMILES notation for [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten?
The canonical SMILES for [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten is CNC(=O)OCc1ccc(OP(C)(=O)OC2C(OC)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)cc1.[W].
What is the InChIKey of [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten?
The InChIKey is PLEZFSXCAYDFCH-YCQSMASOSA-N. The full InChI is InChI=1S/C20H26N3O10P.W/c1-21-20(27)30-11-12-4-6-13(7-5-12)32-34(3,28)33-16-14(10-24)31-18(17(16)29-2)23-9-8-15(25)22-19(23)26;/h4-9,14,16-18,24H,10-11H2,1-3H3,(H,21,27)(H,22,25,26);/t14-,16?,17?,18-,34?;/m1./s1.
What are the key properties of [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten?
[4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten has a molecular weight of 683.25 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-methylphosphoryl]oxyphenyl]methyl N-methylcarbamate;tungsten is sourced from PubChem (CID 158415802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).