YO5

(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol

Created:	2013-09-09
Last modified:	2020-07-17

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1 entries where YO5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	5
Bond Count	31
Aromatic Bond Count	0

2D diagram of YO5

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Chemical Component Summary
Name	(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
Synonyms	Beta-1 phosphonomethylene-D-glucopyranose
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methylphosphonic acid
Formula	C₇ H₁₅ O₈ P
Molecular Weight	258.163
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.385	OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.9.2	C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](C[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1
InChIKey	InChI	1.03	XRMRHVWWWWFMKR-UOYQFSTFSA-N

Related Resource References

Resource Name	Reference
PubChem	21767213

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