ISDA: 4GPB

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: GFP

IUPAC Name: 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose

Formal Charge: 0

Type: D-saccharide

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCOCC1

InChI: InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

InChI Key: DHXVGJBLRPWPCS-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H12 F O8 P

Molecular weight: 262.127

Hydrogen Bond Acceptor: 8

Hydrogen Bond Donor: 5

Rotatable Bonds: 8

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose
OpenEye OEToolkits	1.5.0	[(2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
PDB-CARE	1.0	a-D-Glcp1PO3fluoro

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC1OC(C(O)C(O)C1F)CO)(O)O
SMILES_CANONICAL	CACTVS	3.341	OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](F)[C@@H](O)[C@@H]1O
SMILES	CACTVS	3.341	OC[CH]1O[CH](O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
InChIKey	InChI	1.03	LXEHNDWFCMGWAY-QZABAPFNSA-N

Chemical Database Mapping

Database	Reference ID
PubChem	449515
ZINC	ZINC000005830076