27C

5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose

Created:	2011-05-11
Last modified:	2024-09-27

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1 entries where 27C is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

2D diagram of 27C

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Chemical Component Summary
Name	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose
Synonyms	Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form; 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinose; 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-D-arabinose; 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-arabinose
Systematic Name (OpenEye OEToolkits)	butyl [(2R,3R,4S,5S)-4-fluoranyl-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula	C₉ H₁₈ F O₇ P
Molecular Weight	288.207
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1C(O)C(OC1O)COP(=O)(OCCCC)O
SMILES	CACTVS	3.370	CCCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](F)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CCCCOP(=O)(O)OCC1C(C(C(O1)O)F)O
Canonical SMILES	CACTVS	3.370	CCCCO[P](O)(=O)OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O
InChI	InChI	1.03	InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
InChIKey	InChI	1.03	BWGUXMJYTMZOIK-XAVMHZPKSA-N

Related Resource References

Resource Name	Reference
PubChem	54669588

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