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Olomoucine II

CAT: 0024-sc-202750ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202750ASize:5 mg
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CAS Number
500735-47-7

Chemical Information

Olomoucine Ii

structure in first source

CAS Number500735-47-7
PubChem CID5494414
IUPAC Name2-[[[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
Molecular FormulaC19H26N6O2
Molecular Weight370.4
XLogP2.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity454
SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3O
InChI
InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
InChIKey
NDUVSANREQEDRE-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Olomoucine Ii
CAS: 500735-47-7
CID: 5494414
Formula: C19H26N6O2
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass370.21172409
Monoisotopic Mass370.21172409
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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