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Fludarabine Phosphate EP Impurity C

CAT: 1266-JH917210Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
548774-53-4
Molecular Formula
C10H14FN5O10P2
Molecular Weight
445.19
Density
2.55±0.1 g/cm3 (Predicted)

Chemical Information

9-(3,5-Di-O-phosphono-beta-D-arabinofuranosyl)-2-fluoro-9H-purin-6-amine
CAS Number548774-53-4
PubChem CID10195039
IUPAC Name[(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular FormulaC10H14FN5O10P2
Molecular Weight445.19
XLogP-4.2
Topological Polar Surface Area233
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity667
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)F)N
InChI
InChI=1S/C10H14FN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-5(17)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,17H,1H2,(H2,12,14,15)(H2,18,19,20)(H2,21,22,23)/t3-,5+,6-,9-/m1/s1
InChIKey
FWZDRSVQWVESFS-FTWQFJAYSA-N
Chemical Structure
2D Structure
2D structure of 9-(3,5-Di-O-phosphono-beta-D-arabinofuranosyl)-2-fluoro-9H-purin-6-amine
CAS: 548774-53-4
CID: 10195039
Formula: C10H14FN5O10P2
MW: 445.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.19
XLogP3-4.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass445.01999382
Monoisotopic Mass445.01999382
Topological Polar Surface Area233 Ų
Heavy Atom Count28
Formal Charge0
Complexity667
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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Alternative Products

CatalogName
AR-F01624-01Fludarabine Phosphate EP Impurity A
AR-F09513-01Fludarabine Phosphate Impurity 5
AR-F01633-01Fludarabine Phosphate EP Impurity J
AR-F01627-01Fludarabine Phosphate EP Impurity D
AR-F01628-01Fludarabine Phosphate EP Impurity F
RM-F041807-01Fludarabine Phosphate EP Impurity G
RM-F041802-01Fludarabine Phosphate EP Impurity B
RM-F041803-01Fludarabine Phosphate EP Impurity C
RM-F041805-01Fludarabine Phosphate EP Impurity E
RM-F041808-01Fludarabine Phosphate EP Impurity H

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