4R1

2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose

Created:	2015-05-13
Last modified:	2020-07-17

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1 entries where 4R1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

2D diagram of 4R1

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Chemical Component Summary
Name	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose
Synonyms	beta-glucosamine-6-phosphate; 6-O-phosphono-beta-D-glucosamine; 2-amino-2-deoxy-6-O-phosphono-beta-D-glucose; 2-amino-2-deoxy-6-O-phosphono-D-glucose; 2-amino-2-deoxy-6-O-phosphono-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R,6R)-5-azanyl-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Formula	C₆ H₁₄ N O₈ P
Molecular Weight	259.151
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N
SMILES	CACTVS	3.385	N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.9.2	C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	N[C@H]1[C@H](O)O[C@H](CO[P](O)(O)=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)O)N)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
InChIKey	InChI	1.03	XHMJOUIAFHJHBW-QZABAPFNSA-N

Related Resource References

Resource Name	Reference
PubChem	9838047
ChEMBL	CHEMBL2448885

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