F9B

2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol

Created:	2018-06-12
Last modified:	2018-10-10

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1 entries where F9B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	11

2D diagram of F9B

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Chemical Component Summary
Name	2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
Systematic Name (OpenEye OEToolkits)	2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
Formula	C₁₆ H₂₁ N O₄
Molecular Weight	291.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCC(CO)NC[CH](O)COc1cccc2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O
Canonical SMILES	CACTVS	3.385	OCC(CO)NC[C@H](O)COc1cccc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O
InChI	InChI	1.03	InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1
InChIKey	InChI	1.03	KRBDCALBFRZJTM-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	11843220

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