287389-46-2
CCaO₃·101.080 g/mol·CID 16213538
IUPAC: calcium oxo(113C)methanediolate
Also known as: Calcium carbonate-13C, Calcium (13C)Carbonate, Carbonic-13C acid, calcium salt, EEW9SD7PYW, 13C-labelled Calcium carbonate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
101.080g/mol
Exact Mass
100.950689Da
Monoisotopic Mass
100.950689Da
XLogP
—
Polar Surface Area
63.2Ų
Complexity
18
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
5
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 101.1 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H315Causes skin irritationH318Causes serious eye damageH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula CCaO₃
calcium carbonate
CID 10112 · 100.1 g/mol
calcium carbonate
CID 516889 · 100.1 g/mol
carbon dioxide;oxocalcium
CID 129668380 · 100.1 g/mol
calcium-44(2+) carbonate
CID 118797979 · 104.0 g/mol
calcium oxo(114C)methanediolate
CID 131701063 · 102.1 g/mol
calcium;carbon dioxide;oxygen(2-)
CID 161550609 · 100.1 g/mol
CID 23616872
CID 23616872 · 100.1 g/mol
CID 176507542
CID 176507542 · 100.1 g/mol