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PRT543 (PRMT5-IN-35) 50mg

CAT: 0628-A24356-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A24356-50Size:50 mg
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CAS Number
1989620-03-2

Chemical Information

7-[(5R)-5-C-(4-Chlorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number1989620-03-2
PubChem CID122497020
IUPAC Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-chlorophenyl)-hydroxymethyl]oxolane-3,4-diol
Molecular FormulaC17H17ClN4O4
Molecular Weight376.8
XLogP0.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity495
SMILES
C1=CC(=CC=C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O)O)Cl
InChI
InChI=1S/C17H17ClN4O4/c18-9-3-1-8(2-4-9)11(23)14-12(24)13(25)17(26-14)22-6-5-10-15(19)20-7-21-16(10)22/h1-7,11-14,17,23-25H,(H2,19,20,21)/t11-,12+,13-,14-,17-/m1/s1
InChIKey
ITEKIFMGFZAFPM-QFRSUPTLSA-N
Chemical Structure
2D Structure
2D structure of 7-[(5R)-5-C-(4-Chlorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS: 1989620-03-2
CID: 122497020
Formula: C17H17ClN4O4
MW: 376.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.8
XLogP30.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass376.0938327
Monoisotopic Mass376.0938327
Topological Polar Surface Area127 Ų
Heavy Atom Count26
Formal Charge0
Complexity495
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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