(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate

C₁₄H₁₈N₄O₈CAS 10302-78-0370.32 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₄H₁₈N₄O₈
Molar mass: 370.32 g/mol
Exact mass: 370.1125 Da
logP: -1.46Crippen estimate
Polar surface area: 161.9 Å²
H-bond donors / acceptors: 1 / 11
Rotatable bonds: 5
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

10302-78-0

SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=NC2=O)N)OC(=O)C)OC(=O)C

InChIKey

OTQJVHISAFFLMA-DDHJBXDOSA-N

InChI

InChI=1S/C14H18N4O8/c1-6(19)23-4-9-10(24-7(2)20)11(25-8(3)21)12(26-9)18-5-16-13(15)17-14(18)22/h5,9-12H,4H2,1-3H3,(H2,15,17,22)/t9-,10-,11-,12-/m1/s1

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

Names and synonyms

1 names

2'',3'',5''-Triacetyl -azacytidine

Work with (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate

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

2′,3′,5′-Tri-O-acetyluridine4105-38-866 % similar 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine15811-32-262 % similar 2′,3′,5′-Tri-O-acetylinosine3181-38-257 % similar Tri-O-acetylguanosine6979-94-854 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-545 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-945 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-144 % similar β-D-Galactose pentaacetate4163-60-444 % similar

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

Elsewhere

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