Cytidine, N-benzoyl-2^-deoxy-2^-methylene-,3^,5^-dibenzoate(9ci)

C₃₁H₂₅N₃O₇CAS 863329-63-9551.56 g/mol

Open in Covalent MOL file

Alkene Amide Ester Ether

Properties

Molecular formula: C₃₁H₂₅N₃O₇
Molar mass: 551.56 g/mol
Exact mass: 551.1693 Da
logP: 4.03Crippen estimate
Polar surface area: 125.8 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 8
Stereocentres: S, R, 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

863329-63-9

SMILES

C=C1[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

InChIKey

GYBGOHQHURYWRS-MAARLIENSA-N

InChI

InChI=1S/C31H25N3O7/c1-20-26(41-30(37)23-15-9-4-10-16-23)24(19-39-29(36)22-13-7-3-8-14-22)40-28(20)34-18-17-25(33-31(34)38)32-27(35)21-11-5-2-6-12-21/h2-18,24,26,28H,1,19H2,(H,32,33,35,38)/t24-,26+,28-/m1/s1

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Names and synonyms

1 names

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

Work with Cytidine, N-benzoyl-2^-deoxy-2^-methylene-,3^,5^-dibenzoate(9ci)

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

(2R,3R,4R,5S)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate874638-94-561 % similar N4-Benzoyl-2'-O-methylcytidine52571-45-648 % similar 3′,5′-Di-O-benzoyl-2′-deoxy-2′,2′-difluorocytidine134790-39-937 % similar Alpha-D-glucopyranose pentabenzoate22415-91-437 % similar Penta-O-benzoyl-alpha-D-mannopyranose41569-33-937 % similar Glyceryl tribenzoate614-33-536 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-536 % similar 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-236 % similar

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

Elsewhere

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