名称: (2R,3R,4S,5R,6R)-2-[4-(2-phenylethyl)-1-benzothiophen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILES:
C1=CC=C(C=C1)CCC2=C3C=C(SC3=CC=C2)C4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8Molecular Processing
Molecular formula
C50H48O5S
Molecular weight
761
Exact mass
760.3222
XLogP
11.1
TPSA
46.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
17
Heavy atoms
56
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
224.44
Supplementary Information
InChIKey: SNXSBTBONOOQDM-MKLRJJRFSA-N
同義語
SCHEMBL3625343SNXSBTBONOOQDM-MKLRJJRFSA-N2-(2,3,4,6-tetra-O-benzyl-beta-D-glucopyranosyl)-4-(2-phenylethyl)benzo[b]thiophene
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