CARBON DIOXIDE (13C; 18O2)
CO₂·49.002 g/mol·CID 24947461
IUPAC: (113C)methanedi(18O2)one
Also known as: 2684-00-6, 18O13C18O, Carbon-13C dioxide-18O2, 99 atom % 13C, 95 atom % 18O, Carbon-13C dioxide-18O2, 99 atom % 13C, 97 atom % 18O
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
49.002g/mol
Exact Mass
49.001674Da
Monoisotopic Mass
49.001674Da
XLogP
0.9
Polar Surface Area
34.1Ų
Complexity
18
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
3
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 49.0 g/mol
MW ≤ 500
✓ 0.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula CO₂
carbon dioxide
CID 280 · 44.0 g/mol
(113C)methanedione
CID 10129882 · 45.0 g/mol
methanedi(18O2)one
CID 12130228 · 48.0 g/mol
methanedi(17O2)one
CID 12415844 · 46.0 g/mol
CID 6857677
CID 6857677 · 44.0 g/mol
(114C)methanedione
CID 119388 · 46.0 g/mol
(111C)methanedione
CID 10197607 · 43.0 g/mol
methanedi(18O)one
CID 9920366 · 46.0 g/mol