88Q

1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol

Created:	2012-02-15
Last modified:	2014-09-05

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1 entries where 88Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	41
Aromatic Bond Count	0

2D diagram of 88Q

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Chemical Component Summary
Name	1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol
Systematic Name (OpenEye OEToolkits)	(3S,6S)-3-(hydroxymethyl)-6-[(2S,5S)-5-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxan-3-ol
Formula	C₁₂ H₂₂ O₆
Molecular Weight	262.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCC1(O)CCC(OC1)C2OCC(O)(CO)CC2
SMILES	CACTVS	3.385	OC[C]1(O)CC[CH](OC1)[CH]2CC[C](O)(CO)CO2
SMILES	OpenEye OEToolkits	1.9.2	C1CC(COC1C2CCC(CO2)(CO)O)(CO)O
Canonical SMILES	CACTVS	3.385	OC[C@@]1(O)CC[C@H](OC1)[C@@H]2CC[C@](O)(CO)CO2
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O
InChI	InChI	1.03	InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKey	InChI	1.03	FJMBBGDZFKPKCM-BJDJZHNGSA-N

Related Resource References

Resource Name	Reference
PubChem	70789259

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