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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20N4O13P2
Molecular Weight 490.2537
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Fosfocytocin

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OCCN(O)C=O)[C@@H](O)[C@H]2O

InChI

InChIKey=BWGMNVJUNKPELE-QCNRFFRDSA-N
InChI=1S/C12H20N4O13P2/c13-8-1-2-16(12(20)14-8)11-10(19)9(18)7(28-11)5-27-31(24,25)29-30(22,23)26-4-3-15(21)6-17/h1-2,6-7,9-11,18-19,21H,3-5H2,(H,22,23)(H,24,25)(H2,13,14,20)/t7-,9-,10-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H20N4O13P2
Molecular Weight 490.2537
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HA6ZJJ63QX
Record Status Validated (UNII)
Record Version