3-(3-Amino-3-carboxypropyl)-1-methylpseudouridine

C14H21N3O8CAS 52777-29-4359.34 g/mol

Open in Covalent MOL file
NONOOHONH2OHOOHOH
AlcoholCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C14H21N3O8
Molar mass
359.34 g/mol
Exact mass
359.1329 Da
logP
-3.50Crippen estimate
Polar surface area
177.2 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
6
Stereocentres
S, R, S, Rin 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
52777-29-4
SMILES
CN1C=C(C(=O)N(C1=O)CCC(C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIKey
CTPQMQZKRWLMRA-LYTXVXJPSA-N
InChI
InChI=1S/C14H21N3O8/c1-16-4-6(11-10(20)9(19)8(5-18)25-11)12(21)17(14(16)24)3-2-7(15)13(22)23/h4,7-11,18-20H,2-3,5,15H2,1H3,(H,22,23)/t7?,8-,9-,10-,11+/m1/s1

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Work with 3-(3-Amino-3-carboxypropyl)-1-methylpseudouridine

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

1,3-Dimethylpseudouridine64272-68-063 % similar N1-Methylpseudouridine13860-38-346 % similar 3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-743 % similar 1,3-Dimethyl-2'-deoxypseudouridine65358-16-941 % similar N1-Ethylpseudouridine1613529-72-837 % similar 1-Methylinosine2140-73-035 % similar N1-Benzyl pseudouridine1613530-22-534 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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