PNJ

4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside

Created:	2008-08-05
Last modified:	2020-07-17

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2 entries where PNJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	5
Bond Count	38
Aromatic Bond Count	6

2D diagram of PNJ

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Chemical Component Summary
Name	4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside
Synonyms	PNP-BETA-D-GLUCOSAMINE; 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside; 4-nitrophenyl 2-amino-2-deoxy-D-glucoside; 4-nitrophenyl 2-amino-2-deoxy-glucoside
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4-diol
Formula	C₁₂ H₁₆ N₂ O₇
Molecular Weight	300.265
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N
InChI	InChI	1.03	InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10-,11-,12-/m1/s1
InChIKey	InChI	1.03	ZRNBGANFPXCMFT-LZQZFOIKSA-N

Related Resource References

Resource Name	Reference
PubChem	21590295

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