이름: ethyl (2R,3R)-3-(acetyloxy)-2-{[(benzyloxy)carbonyl]amino}-3-[(2R,3R,4R,5S)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]propanoate
SMILES:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](NC(=O)OCc4ccccc4)[C@H](C)O)C(=O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1Molecular Processing
Molecular formula
C40H57N5O13Si
Molecular weight
844
Exact mass
843.3722
XLogP
1.3
TPSA
249.14
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
19
Heavy atoms
59
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.525
Molar refractivity
217.34
Supplementary Information
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