NDU

2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE

Created:	2007-10-27
Last modified:	2024-09-27

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1 entries where NDU is found as a standalone ligand5 entries where NDU is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	0

2D diagram of NDU

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Chemical Component Summary
Name	2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₄ N₃ O₁₀ P
Molecular Weight	355.195
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C[C@H](C(=O)NC2=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H14N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1
InChIKey	InChI	1.03	ZYBJIJYGXJSDTC-XZBKPIIZSA-N

Related Resource References

Resource Name	Reference
PubChem	49867370

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