Home Other Building Blocks Capecitabine-2',3'-cyclic Carbonate

Capecitabine-2',3'-cyclic Carbonate

CAS No.:
921769-65-5
Catalog Number:
AG00GY00
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GY00
Chemical Name:
Capecitabine-2',3'-cyclic Carbonate
CAS Number:
921769-65-5
MDL Number:
MFCD23160273
IUPAC Name:
pentyl N-[1-[(3aS,4R,6R)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
InChI:
InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10?,11+,13-/m1/s1
InChI Key:
VTAMAYSBXXKQPB-IZSYJUOESA-N
Properties
Complexity:
696  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
385.129g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
385.348g/mol
Monoisotopic Mass:
385.129g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties