0U8

(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol

Created:	2012-06-15
Last modified:	2012-06-15

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1 entries where 0U8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	8
Bond Count	44
Aromatic Bond Count	0

2D diagram of 0U8

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Chemical Component Summary
Name	(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₂ H₂₀ O₁₀
Molecular Weight	324.281
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O1CC3OC(OCC2OC1(CO)C(O)C2O)(CO)C(O)C3O
SMILES	CACTVS	3.370	OC[C]12OC[CH]3O[C](CO)(OC[CH](O1)[CH](O)[CH]2O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.7.6	C1C2C(C(C(O2)(OCC3C(C(C(O1)(O3)CO)O)O)CO)O)O
Canonical SMILES	CACTVS	3.370	OC[C@@]12OC[C@H]3O[C@@](CO)(OC[C@@H](O1)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]3O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O
InChI	InChI	1.03	InChI=1S/C12H20O10/c13-3-11-10(18)8(16)6(22-11)2-20-12(4-14)9(17)7(15)5(21-12)1-19-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
InChIKey	InChI	1.03	WMUHBTATSZQNJG-TWOHWVPZSA-N

Related Resource References

Resource Name	Reference
PubChem	9840208

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