Research chemical
CAS Number: 852690-25-6
![4-[[8-[4-[[8-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[[4-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol molecular structure, CAS 852690-25-6](/structure-images/852690-25-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
76189099
Exact Mass
1098.348635
InChIKey
FDJBFZNASCYAIJ-UHFFFAOYSA-N
SMILES String
OCC1OC(OC2C3COC2C(O)C(OC2C(O)C(CO)OC(OC4C5COC4C(O)C(OC4C(O)C(CO)OC(OC6C7COC6C(O)C(OC6C(O)C(O)OC(CO)C6O)O7)C4O)O5)C2O)O3)C(O)C(O)C1O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
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4-[[8-[4-[[8-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[[4-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol is identified by CAS 852690-25-6, with molecular formula C42H66O33, molecular weight 1099, InChIKey FDJBFZNASCYAIJ-UHFFFAOYSA-N.
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Heavy atom count
75
H-bond acceptors
33
H-bond donors
17
Rotatable bonds
16
Ring count
10
Aromatic rings
0
Topological polar surface area
491.59 Ų
Computed LogP
-13.14
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-[[8-[4-[[8-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[[4-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3. 2. 1]octan-3-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3. 2.
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