PO8

(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

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

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2 entries where PO8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	29
Chiral Atom Count	6
Bond Count	29
Aromatic Bond Count	0

2D diagram of PO8

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Chemical Component Summary
Name	(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Systematic Name (OpenEye OEToolkits)	[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium
Formula	C₇ H₁₆ N O₅
Molecular Weight	194.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(C(C1O)O)O)O)[NH3+])O
Canonical SMILES	CACTVS	3.385	[NH3+][C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O
InChI	InChI	1.03	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1
InChIKey	InChI	1.03	SWVTZDDSAFUTKS-ARYBSUEZSA-O

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