이름: sodium tris[N-(2-methylpropyloxycarbonyl)prolyloxy]borohydride
SMILES:
CC(C)COC(=O)N1CCC[C@H]1C(=O)O[BH-](OC(=O)[C@@H]1CCCN1C(=O)OCC(C)C)OC(=O)[C@@H]1CCCN1C(=O)OCC(C)C.[Na+]Molecular Processing
Molecular formula
C30H49BN3NaO12
Molecular weight
677.53
Exact mass
677.3307
XLogP
0.11
TPSA
167.52
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
47
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
2
Fraction Csp3
0.8
Molar refractivity
163.17
Supplementary Information
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