PN8

(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol

Created:	2020-04-26
Last modified:	2024-09-27

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1 entries where PN8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	28
Chiral Atom Count	5
Bond Count	28
Aromatic Bond Count	0

2D diagram of PN8

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Chemical Component Summary
Name	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[(azanylidyne-$l^{4}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
Formula	C₇ H₁₄ N₃ O₄
Molecular Weight	204.204
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1C[CH](O)[CH](CN[N]#N)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C(C1O)O)O)CN[N]#N)O
Canonical SMILES	CACTVS	3.385	O[C@H]1C[C@H](O)[C@H](CN[N]#N)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O
InChI	InChI	1.03	InChI=1S/C7H14N3O4/c8-10-9-2-3-4(11)1-5(12)7(14)6(3)13/h3-7,9,11-14H,1-2H2/t3-,4-,5-,6+,7+/m0/s1
InChIKey	InChI	1.03	FBFTWYYGVGMNEW-YPPKRKOXSA-N

Related Resource References

Resource Name	Reference
PubChem	155923706

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