Input interpretation
2'-deoxyinosine
Chemical names and formulas
![formula | C_10H_12N_4O_4 name | 2'-deoxyinosine IUPAC name | 9-[(2R, 4S, 5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one alternate names | deoxyinosine | inosine, 2'-deoxy- mass fractions | C (carbon) 47.6% | H (hydrogen) 4.8% | N (nitrogen) 22.2% | O (oxygen) 25.4%](../image_source/03e0e2823dc93806760229dd7ac22a19.png)
formula | C_10H_12N_4O_4 name | 2'-deoxyinosine IUPAC name | 9-[(2R, 4S, 5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one alternate names | deoxyinosine | inosine, 2'-deoxy- mass fractions | C (carbon) 47.6% | H (hydrogen) 4.8% | N (nitrogen) 22.2% | O (oxygen) 25.4%
Lewis structure
Draw the Lewis structure of 2'-deoxyinosine. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), and oxygen (n_O, val = 6) atoms: 10 n_C, val + 12 n_H, val + 4 n_N, val + 4 n_O, val = 96 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), and oxygen (n_O, full = 8): 10 n_C, full + 12 n_H, full + 4 n_N, full + 4 n_O, full = 168 Subtracting these two numbers shows that 168 - 96 = 72 bonding electrons are needed. Each bond has two electrons, so in addition to the 32 bonds already present in the diagram add 4 bonds. To minimize formal charge oxygen wants 2 bonds, nitrogen wants 3 bonds, and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 4 bonds by pairing electrons between adjacent highlighted atoms: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 252.23 g/mol phase | solid (at STP) melting point | 250 °C
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | -1.71 predicted LogP hydrophobicity | -1 predicted LogS | -2.06
Basic drug properties
approval status | experimental | small molecule drug categories | purine nucleoside phosphorylase inhibitor
Chemical identifiers
CAS number | 890-38-0 Beilstein number | 33517 PubChem CID number | 65058 PubChem SID number | 4549 SMILES identifier | C1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)O InChI identifier | InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7, 15-16H, 1-2H2, (H, 11, 12, 17)/t5-, 6+, 7+/m0/s1/f/h11H InChI key | BKUSIKGSPSFQAC-QTZJXIGQDH EU number | 212-964-1
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 0 NFPA reactivity rating | 0