CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
Nombre: D-pantethine
SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

Molecular Processing

Molecular formula
C22H42N4O8S2
Molecular weight
554.73
Exact mass
554.2444
XLogP
-1.63
TPSA
197.32
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
19
Heavy atoms
36
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
139.94

Supplementary Information

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