ISDA: 1O7T

Structural Complex

Chemical ID: PHF

IUPAC Name: HF-OXO-PHOSPHATE CLUSTER PHF

Formal Charge: -10

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: H11 Hf5 O23 P

Molecular weight: 1302.497

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/5Hf.H3O4P.11H2O.8O/c;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;;;;;(H3,1,2,3,4);111H2;;;;;;;;/q2+2;2*+3;+4;;;;;;;;;;;;;;;;;;;;/p-14
InChIKey	InChI	1.06	YWHPABBSPOVOJT-UHFFFAOYSA-A
SMILES_CANONICAL	CACTVS	3.385	O[Hf]123O[P@@]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5
SMILES	CACTVS	3.385	O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	O[Hf]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O
SMILES	OpenEye OEToolkits	2.0.7	O[Hf]12(O[Hf]34(O15[Hf]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O