1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

C24H23F4N2O10PS — CID 118294163

IUPAC1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(OSP(=O)(OC[C@@]2(C(F)F)O[C@@H](n3ccc(=O)[nH]c3=O)C(F)(F)[C@@H]2O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23F4N2O10PS/c1-35-14-3-7-16(8-4-14)39-41(34,42-40-17-9-5-15(36-2)6-10-17)37-13-23(20(25)26)19(32)24(27,28)21(38-23)30-12-11-18(31)29-22(30)33/h3-12,19-21,32H,13H2,1-2H3,(H,29,31,33)/t19-,21-,23-,41?/m1/s1
InChIKeyJXTJRALWBIPLHJ-RRECYKNUSA-N
MW638.49 g/mol
LogP4.01
Rot. Bonds12

About 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 118294163) has the molecular formula C24H23F4N2O10PS and a molecular weight of 638.49 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID118294163
Molecular FormulaC24H23F4N2O10PS
Molecular Weight638.49 g/mol
Exact Mass638.07
IUPAC Name1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOc1ccc(OSP(=O)(OC[C@@]2(C(F)F)O[C@@H](n3ccc(=O)[nH]c3=O)C(F)(F)[C@@H]2O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23F4N2O10PS/c1-35-14-3-7-16(8-4-14)39-41(34,42-40-17-9-5-15(36-2)6-10-17)37-13-23(20(25)26)19(32)24(27,28)21(38-23)30-12-11-18(31)29-22(30)33/h3-12,19-21,32H,13H2,1-2H3,(H,29,31,33)/t19-,21-,23-,41?/m1/s1
InChIKeyJXTJRALWBIPLHJ-RRECYKNUSA-N
XLogP4.01
TPSA147.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione (CID 118294163) is 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione is COc1ccc(OSP(=O)(OC[C@@]2(C(F)F)O[C@@H](n3ccc(=O)[nH]c3=O)C(F)(F)[C@@H]2O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is JXTJRALWBIPLHJ-RRECYKNUSA-N. The full InChI is InChI=1S/C24H23F4N2O10PS/c1-35-14-3-7-16(8-4-14)39-41(34,42-40-17-9-5-15(36-2)6-10-17)37-13-23(20(25)26)19(32)24(27,28)21(38-23)30-12-11-18(31)29-22(30)33/h3-12,19-21,32H,13H2,1-2H3,(H,29,31,33)/t19-,21-,23-,41?/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 638.49 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[[(4-methoxyphenoxy)-(4-methoxyphenoxy)sulfanylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 118294163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).