2-Aminoadenosine

C₁₀H₁₄N₆O₄CAS 2096-10-8282.26 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₁₀H₁₄N₆O₄
Molar mass: 282.26 g/mol
Exact mass: 282.1077 Da
Melting point: 248 °C
logP: -2.57Crippen estimate
Polar surface area: 166.3 Å²
H-bond donors / acceptors: 6 / 8
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

2096-10-8

SMILES

N=c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)[nH]1

InChIKey

ZDTFMPXQUSBYRL-UUOKFMHZSA-N

InChI

InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all

Adenosine, 2-amino-
9H-Purine, 2,6-diamino-9-β-D-ribofuranosyl-
2,6-Diaminopurine riboside
9-β-Ribosyl-2,6-diaminopurine
2,6-Diaminopurine ribonucleoside
9H-Purine-2,6-diamine, 9-β-D-ribofuranosyl-
2,6-Diaminonebularine
2,6-Diaminopurinosine
2,6-Diamino-9-β-D-ribofuranosylpurine
NSC 7363
18: PN: US7015315 PAGE: 27 claimed sequence
2-(2,6-Diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
5-(2,6-Diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol

Work with 2-Aminoadenosine

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-Amino-3′-O-methyladenosine80791-88-480 % similar 2-Amino-6-chloropurine riboside2004-07-175 % similar 2-Amino-2′-deoxyadenosine4546-70-767 % similar Guanosine118-00-364 % similar 9-β-D-Arabinofuranosylguanine38819-10-264 % similar Guanosine85-30-364 % similar Thioguanosine85-31-464 % similar 2-Aminopurine riboside4546-54-763 % similar

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

Elsewhere

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