6GR

2-(alpha-L-altropyranosyloxy)benzoic acid

Created:	2016-04-07
Last modified:	2020-07-17

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1 entries where 6GR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	5
Bond Count	38
Aromatic Bond Count	6

2D diagram of 6GR

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Chemical Component Summary
Name	2-(alpha-L-altropyranosyloxy)benzoic acid
Synonyms	2-(alpha-L-altrosyloxy)benzoic acid; 2-(L-altrosyloxy)benzoic acid; 2-(altrosyloxy)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzoic acid
Formula	C₁₃ H₁₆ O₈
Molecular Weight	300.261
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO
SMILES	CACTVS	3.385	OC[CH]1O[CH](Oc2ccccc2C(O)=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H]1O[C@@H](Oc2ccccc2C(O)=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1
InChIKey	InChI	1.03	TZPBMNKOLMSJPF-HKLXJQGRSA-N

Related Resource References

Resource Name	Reference
PubChem	139209098

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