이름: ethyl (2R,3R)-2-amino-3-hydroxy-3-[(2S,3R,4R,5S)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]propanoate
SMILES:
CCOC(=O)[C@H](N)[C@@H](O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C17H23N3O10
Molecular weight
429.38
Exact mass
429.1383
XLogP
-2.45
TPSA
189.24
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
96.96
Supplementary Information
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