CC(=O)OCC1C(C(C(C(O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
Название: [(3S,4S,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
SMILES: CC(=O)OCC1C(C(C(C(O1)Br)OC(=O)C)OC(=O)C)OC(=O)C

Molecular Processing

Molecular formula
C14H19BrO9
Molecular weight
411.2
Exact mass
410.0212
XLogP
0.46
TPSA
114.43
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
24
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
80.88

Supplementary Information

InChIKey: CYAYKKUWALRRPA-WHWAKUBCSA-N
Синонимы
Acetobromo-a-D-galactose1-Bromo-2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosideSCHEMBL13411470CYAYKKUWALRRPA-WHWAKUBCSA-NBP-14209
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