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LLY-284 100mg

CAT: 0628-A24348-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A24348-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2226515-75-7

Chemical Information

(2R,3R,4S,5R)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-((S)-hydroxy(phenyl)methyl)tetrahydrofuran-3,4-diol
CAS Number2226515-75-7
PubChem CID136213035
IUPAC Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(S)-hydroxy(phenyl)methyl]oxolane-3,4-diol
Molecular FormulaC17H18N4O4
Molecular Weight342.35
XLogP0.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
C1=CC=C(C=C1)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O)O
InChI
InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12-,13+,14+,17+/m0/s1
InChIKey
WWOOWAHTEXIWBO-CNUKPYSBSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S,5R)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-((S)-hydroxy(phenyl)methyl)tetrahydrofuran-3,4-diol
CAS: 2226515-75-7
CID: 136213035
Formula: C17H18N4O4
MW: 342.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.35
XLogP30.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass342.13280507
Monoisotopic Mass342.13280507
Topological Polar Surface Area127 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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