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5'-O-Trityl-3'-b-hydroxythymidine

CAT: 0926-NT06346-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NT06346-01Size:25 mg
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CAS Number
55612-11-8
Synonyms
5'-O-Trityl-3'-b-hydroxy-D-thymidine
MDL Number
MFCD00134202
Smiles
CC1=CN (C (=O) NC1=O) [C@H]2C[C@H] ([C@H] (O2) COC (C3=CC=CC=C3) (C4=CC=CC=C4) C5=CC=CC=C5) O
Molecular Formula
C29H28N2O6
Molecular Weight
500.54 g/mol
Controlled
No

Chemical Information

1-(2-deoxy-5-O-trityl-beta-D-threopentofuranosyl)thymine
CAS Number55612-11-8
PubChem CID11755083
IUPAC Name1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC29H28N2O5
Molecular Weight484.5
XLogP3.5
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity765
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)/t24-,25-,26-/m1/s1
InChIKey
FZDHVUVGQXVYOP-TWJOJJKGSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-deoxy-5-O-trityl-beta-D-threopentofuranosyl)thymine
CAS: 55612-11-8
CID: 11755083
Formula: C29H28N2O5
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass484.19982200
Monoisotopic Mass484.19982200
Topological Polar Surface Area88.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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