HSD

(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

Created:	2009-01-14
Last modified:	2012-12-21

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3 entries where HSD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	4
Bond Count	25
Aromatic Bond Count	0

2D diagram of HSD

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Chemical Component Summary
Name	(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Systematic Name (OpenEye OEToolkits)	(1S,2S,3R,6R)-6-azanyl-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Formula	C₇ H₁₃ N O₄
Molecular Weight	175.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1C(N)C=C(C(O)C1O)CO
SMILES	CACTVS	3.370	N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C1=C(C(C(C(C1N)O)O)O)CO
Canonical SMILES	CACTVS	3.370	N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO
InChI	InChI	1.03	InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1
InChIKey	InChI	1.03	XPHOBMULWMGEBA-JWXFUTCRSA-N

Related Resource References

Resource Name	Reference
PubChem	49867127

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