GC3

(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL

Created:	2010-11-02
Last modified:	2011-06-04

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1 entries where GC3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	5
Bond Count	29
Aromatic Bond Count	0

2D diagram of GC3

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Chemical Component Summary
Name	(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
Systematic Name (OpenEye OEToolkits)	(3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]oxazole-6,7-diol
Formula	C₈ H₁₃ N O₆
Molecular Weight	219.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N1=C(OC2OC(C(O)C(O)C12)CO)CO
SMILES	CACTVS	3.352	OC[CH]1O[CH]2OC(=N[CH]2[CH](O)[CH]1O)CO
SMILES	OpenEye OEToolkits	1.6.1	C(C1C(C(C2C(O1)OC(=N2)CO)O)O)O
Canonical SMILES	CACTVS	3.352	OC[C@H]1O[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)CO
Canonical SMILES	OpenEye OEToolkits	1.6.1	C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	FAUNLXBEFZYFSG-PNAXYBNRSA-N

Related Resource References

Resource Name	Reference
PubChem	137349421

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