 Home > Encyclopedia > [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate structure

CAS No:
35002-94-9
Formula:
C21H29N4O12P
Chemical Name:
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate
Synonyms:
thymidylyl-(3'-5')-thymidine methyl phosphotriester;Thymidylyl-(3'-5')-thymidine methyl phosphotriester;CHEMBL3608396;Methyl phosphotriester of thymidylyl-(3'-5')-thymidine;35002-94-9;Thymidine, P-methylthymidylyl-(3'-5')-;3'-Thymidylic acid methyl(5'-thymidyl) ester

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[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate Basic Attributes

Molecular Weight：

560.4 g/mol

Exact Mass：

560.15195937 g/mol

Characteristics

PSA：

203 Å²

Drug Information

MeSH Entry Terms：

thymidylyl-(3'-5')-thymidine methyl phosphotriester

Computed Properties

Molecular Weight:560.4
XLogP3:-2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:560.15195937
Monoisotopic Mass:560.15195937
Topological Polar Surface Area:203
Heavy Atom Count:38
Complexity:1110
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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