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Gemcitabine diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM156279

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₉H₁₃F₂N₃O₁₀P₂

charge

mass

423.00442

reference

sabiorkM:23784

InChIKey

FRQISCZGNNXEMD-QPPQHZFASA-N

InChI

InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1

SMILES

N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)c(O)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:23784 sabiorkM:23784	Gemcitabine diphosphate
hmdb:HMDB0060639	Gemcitabine diphosphate Gemcitabine diphosphoric acid [({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid {[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
hmdb:HMDB60639	secondary/obsolete/fantasy identifier