142072-12-6
C₁₀H₁₈N₄O₆·290.270 g/mol·CID 11608979
IUPAC: N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also known as: 2-Azidoethyl 2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranoside, RefChem:256262, 2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside, N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, MFCD15072140 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
290.270g/mol
Exact Mass
290.122634Da
Monoisotopic Mass
290.122634Da
XLogP
-1.1
Polar Surface Area
123.0Ų
Complexity
375
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
8
Rotatable Bonds
6
Heavy Atoms
20
Stereo Centers
5
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 290.3 g/mol
MW ≤ 500
✓ -1.1
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 8
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1