EOW

(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Created:	2018-04-05
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of EOW

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Chemical Component Summary
Name	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
Formula	C₁₁ H₁₄ N O₅ P
Molecular Weight	271.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O
Canonical SMILES	CACTVS	3.385	Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16)
InChIKey	InChI	1.03	HYSIPFHNUDKCJU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349271

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