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Kipukasin C

CAT: 0013-GTR19277992-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277992-05Size:5 mg
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Description
Kipukasin C is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
948573-99-7
Smiles
COC1=CC (O) =C (C (=O) O[C@@H]2[C@@H] (CO) O[C@H] ([C@@H]2OC (C) =O) N2C=CC (=O) NC2=O) C (C) =C1
Molecular Formula
C20H22N2O10
Molecular Weight
450.4
Notes
For research use only.

Chemical Information

kipukasin C

Kipukasin C is a pyrimidine nucleoside.

CAS Number948573-99-7
PubChem CID23624917
IUPAC Name[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Molecular FormulaC20H22N2O10
Molecular Weight450.4
XLogP0.5
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity786
SMILES
CC1=CC(=CC(=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2OC(=O)C)N3C=CC(=O)NC3=O)CO)O)OC
InChI
InChI=1S/C20H22N2O10/c1-9-6-11(29-3)7-12(25)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1
InChIKey
HAQMHDBEEOMBGX-BNEJOLLZSA-N
Chemical Structure
2D Structure
2D structure of kipukasin C
CAS: 948573-99-7
CID: 23624917
Formula: C20H22N2O10
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass450.12744490
Monoisotopic Mass450.12744490
Topological Polar Surface Area161 Ų
Heavy Atom Count32
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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