CC(=O)OCC1C(C(C(O1)N2C3=CC(=C(C=C3C=C2Cl)Cl)Cl)O)O
الاسم: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,5,6-trichloroindol-1-yl)oxolan-2-yl]methyl acetate
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=CC(=C(C=C3C=C2Cl)Cl)Cl)O)O

Molecular Processing

Molecular formula
C15H14Cl3NO5
Molecular weight
394.64
Exact mass
392.9938
XLogP
2.78
TPSA
80.92
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
89.52

Supplementary Information

InChIKey: COFUFFHSZNCFHQ-NMFUWQPSSA-N
مرادفات
SCHEMBL1624916COFUFFHSZNCFHQ-NMFUWQPSSA-N2,5,6-Trichloro-1-(5-O-acetyl-beta-D-ribofuranosyl)indole
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