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5-Azacytidine 5'-Diphosphate

CAT: 0024-sc-503175Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-503175Size:5 mg
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CAS Number
2226-73-5

Chemical Information

4-Amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one

5-Azacytidine 5'-diphosphate is a phospho sugar.

CAS Number2226-73-5
PubChem CID71776356
IUPAC Name[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular FormulaC8H14N4O11P2
Molecular Weight404.16
XLogP-4.9
Topological Polar Surface Area234
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity692
SMILES
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)N
InChI
InChI=1S/C8H14N4O11P2/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(22-6)1-21-25(19,20)23-24(16,17)18/h2-6,13-14H,1H2,(H,19,20)(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m1/s1
InChIKey
RQKDGRDHJHINET-KVTDHHQDSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
CAS: 2226-73-5
CID: 71776356
Formula: C8H14N4O11P2
MW: 404.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.16
XLogP3-4.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass404.01343127
Monoisotopic Mass404.01343127
Topological Polar Surface Area234 Ų
Heavy Atom Count25
Formal Charge0
Complexity692
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