chempirical

5'-O-Tritylthymidine

C29H28N2O5CAS 7791-71-1484.55 g/mol

Open in Covalent MOL file
NONHOOOOH
AlcoholEther

Properties

Molecular formula
C29H28N2O5
Molar mass
484.55 g/mol
Exact mass
484.1998 Da
logP
3.50Crippen estimate
Polar surface area
93.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7791-71-1
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
InChIKey
FZDHVUVGQXVYOP-JIMJEQGWSA-N
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+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1-(2-Deoxy-5-O-(triphenylmethyl)pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

Work with 5'-O-Tritylthymidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5′-O-(4,4′-Dimethoxytrityl)thymidine40615-39-258 % similar (2R,3R,5R)-2,3-Dihydro-8-methyl-3-[(triphenylmethoxy)methyl]-2,5-methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one25442-42-651 % similar 2',3'-Dideoxythymidine3416-05-545 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-045 % similar 2'-Fluorothymidine122799-38-641 % similar N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine64325-78-641 % similar 5'-O-(Bis(4-methoxyphenyl)(phenyl)methyl)-2'-O-methyluridine103285-22-941 % similar Telbivudine3424-98-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook