CC1C(CC(C(O1)OCCCCC(=O)OC2CC(C(OC2OC(C)CCC(=O)OCC3=CC=CC=C3)C)OC(=O)C(C)CN=[N+]=[N-])OCC4=CC=CC=C4)OCC5=CC=CC=C5
이름: benzyl (4R)-4-[(2R,3R,5R,6S)-5-[(2R)-3-azido-2-methylpropanoyl]oxy-6-methyl-3-[5-[(2R,3R,5R,6S)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl]oxypentanoyloxy]oxan-2-yl]oxypentanoate
SMILES: CC1C(CC(C(O1)OCCCCC(=O)OC2CC(C(OC2OC(C)CCC(=O)OCC3=CC=CC=C3)C)OC(=O)C(C)CN=[N+]=[N-])OCC4=CC=CC=C4)OCC5=CC=CC=C5

Molecular Processing

Molecular formula
C47H61N3O12
Molecular weight
860.01
Exact mass
859.4255
XLogP
8.31
TPSA
183.04
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
24
Heavy atoms
62
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.553
Molar refractivity
226.7

Supplementary Information

InChIKey: KGMPGBVXIXWBJL-DPJHSSGZSA-N
동의어
SCHEMBL16146419KGMPGBVXIXWBJL-DPJHSSGZSA-N(2R,3R,5R,6S)-5-(((R)-3-azido-2-methylpropanoyl)oxy)-2-(((R)-5-(benzyloxy)-5-oxopentan-2-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl 5-(((2R,3R,5R,6S)-3,5-bis(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)pentanoate
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