A6P

6-O-phosphono-alpha-D-allopyranose

Created:	2008-06-10
Last modified:	2020-07-17

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1 entries where A6P is found as a standalone ligand

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

2D diagram of A6P

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Chemical Component Summary
Name	6-O-phosphono-alpha-D-allopyranose
Synonyms	6-O-phosphono-alpha-D-allose; 6-O-phosphono-D-allose; 6-O-phosphono-allose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Formula	C₆ H₁₃ O₉ P
Molecular Weight	260.136
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKey	InChI	1.03	NBSCHQHZLSJFNQ-UKFBFLRUSA-N

Related Resource References

Resource Name	Reference
PubChem	12598269

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