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Chemical structure of Remdesivir O-desphosphate acetonide impurity

GC61240

Remdesivir O-desphosphate acetonide impurity

Also known as (3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile

Remdesivir O-desphosphate acetonide impurity is an impurity of Remdesivir

ChemicalCAS1191237-80-5MW331.33FormulaC15H17N5O4
CAS number
1191237-80-5
Molecular weight
331.33
Formula
C15H17N5O4
Solubility
DMSO： 100 mg/mL (301·81 mM)
InChIKey
IJCOKJGMVJGKBB-CGEWXTDFSA-N
Catalogue number
GC61240
Brand
GLPBIO
Computed properties PubChem CID 58527338 · XLogP -1 · TPSA 128 Ų · H-bond donors 2
XLogP
-1
TPSA
128 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
24

SMILES CC1(O[C@@H]2[C@H](O[C@@]([C@@H]2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C

Computed descriptors from PubChem (CID 58527338), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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