2-Amino-3′-O-methyladenosine

C₁₁H₁₆N₆O₄CAS 80791-88-4296.29 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₁₁H₁₆N₆O₄
Molar mass: 296.29 g/mol
Exact mass: 296.1233 Da
logP: -1.91Crippen estimate
Polar surface area: 155.3 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 3
Stereocentres: S, R, R, Rin SMILES atom order

Identifiers

CAS number

80791-88-4

SMILES

CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)[nH]c(=N)nc32)O[C@@H]1CO

InChIKey

DKDQFJWVNWYVPR-KQYNXXCUSA-N

InChI

InChI=1S/C11H16N6O4/c1-20-7-4(2-18)21-10(6(7)19)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1

Weigh it out

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

Names and synonyms

2 names

Adenosine, 2-amino-3′-O-methyl-
3′-O-Methyl-2,6-diaminopurine riboside

Work with 2-Amino-3′-O-methyladenosine

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-Aminoadenosine2096-10-880 % similar 3′-O-Methylguanosine10300-27-368 % similar 3′-O-Methyladenosine10300-22-862 % similar 2-Amino-2′-deoxyadenosine4546-70-762 % similar 2-Amino-6-chloropurine riboside2004-07-160 % similar 2′-O-Methylguanosine2140-71-858 % similar Nelarabine121032-29-954 % similar 2′-O-Methyladenosine2140-79-652 % similar

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

Elsewhere

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