E9K

(1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol

Created:	2018-03-06
Last modified:	2019-09-18

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2 entries where E9K is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	5
Bond Count	25
Aromatic Bond Count	0

2D diagram of E9K

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Chemical Component Summary
Name	(1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
Formula	C₇ H₁₃ N O₃
Molecular Weight	159.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	C1C(C(C(C2C1N2)O)O)CO
Canonical SMILES	CACTVS	3.385	OC[C@H]1C[C@H]2N[C@H]2[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO
InChI	InChI	1.03	InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4-,5-,6-,7-/m1/s1
InChIKey	InChI	1.03	JACJTGDBUDQHPY-NYMZXIIRSA-N

Related Resource References

Resource Name	Reference
PubChem	139030453

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