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Chemical structure of 1,2-O-Isopropylidene-5-O-p-toluoyl-a-D-xylofuranose

GC68484

1,2-O-Isopropylidene-5-O-p-toluoyl-a-D-xylofuranose

Also known as [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzoate

1,2-O-Isopropylidene-5-O-p-toluoyl-a-D-xylofuranose is a purine nucleoside analogue· Purine nucleoside analogues have broad anti-tumor activity and target malignant tumors in the inert lymphatic system· The anticancer mechanism in this process depends on inhibiting DNA synthesis, inducing apoptosis (cell death), etc

ChemicalCAS75096-60-5MW308.33FormulaC16H20O6
CAS number
75096-60-5
Molecular weight
308.33
Formula
C16H20O6
InChIKey
AFHPWODMQGXJFV-QVHKTLOISA-N
Catalogue number
GC68484
Brand
GLPBIO
Computed properties PubChem CID 715277 · XLogP 1.6 · TPSA 74.2 Ų · H-bond donors 1
XLogP
1.6
TPSA
74.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O

Computed descriptors from PubChem (CID 715277), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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