(2R,3R,4R,5S)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

C31H26FN3O7CAS 874638-94-5571.56 g/mol

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ONNONHOOOOOF
Alkyl halideAmideEsterEther

Properties

Molecular formula
C31H26FN3O7
Molar mass
571.56 g/mol
Exact mass
571.1755 Da
logP
4.20Crippen estimate
Polar surface area
125.8 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
8
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
874638-94-5
SMILES
C[C@]1([C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)F
InChIKey
MXEQSUUFNWPUJH-WTTKOAORSA-N
InChI
InChI=1S/C31H26FN3O7/c1-31(32)25(42-28(38)22-15-9-4-10-16-22)23(19-40-27(37)21-13-7-3-8-14-21)41-29(31)35-18-17-24(34-30(35)39)33-26(36)20-11-5-2-6-12-20/h2-18,23,25,29H,19H2,1H3,(H,33,34,36,39)/t23-,25-,29+,31-/m1/s1

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Work with (2R,3R,4R,5S)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-methyl-, 3′,5′-dibenzoate, (2′R)-817204-32-3

Similar compounds

Cytidine, N-benzoyl-2^-deoxy-2^-methylene-,3^,5^-dibenzoate(9ci)863329-63-961 % similar 3′,5′-Di-O-benzoyl-2′-deoxy-2′,2′-difluorocytidine134790-39-949 % similar N4-Benzoyl-2'-O-methylcytidine52571-45-649 % similar 3,5-Di-O-benzoyl-2-deoxy-2,2-difluoro-beta-L-erythro-pentofuranose153012-08-943 % similar (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate874638-80-943 % similar 1,2,3,5-Tetra-O-benzoyl-2-C-methyl-β-D-ribofuranose15397-15-643 % similar 2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate122111-11-942 % similar α-D-Erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate134877-42-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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