M6R

5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL

Created:	2007-05-29
Last modified:	2011-06-04

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1 entries where M6R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	31
Aromatic Bond Count	0

2D diagram of M6R

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Chemical Component Summary
Name	5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-amino-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
Formula	C₆ H₁₆ N O₈ P
Molecular Weight	261.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
SMILES	CACTVS	3.341	N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
Canonical SMILES	CACTVS	3.341	N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
InChI	InChI	1.03	InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKey	InChI	1.03	LBNVXZROMBUNNQ-KVTDHHQDSA-N

Related Resource References

Resource Name	Reference
PubChem	16750075

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