ISDA: 3QVF

Structural Complex

Chemical ID: FV1

IUPAC Name: dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C3 H8 O7 P V

Molecular weight: 238.007

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium
OpenEye OEToolkits	1.7.2	[[(2R,3S)-3-methyloxiran-2-yl]-oxidanyl-phosphoryl]oxy-bis(oxidanyl)-oxidanylidene-vanadium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=[V](OP(=O)(O)C1OC1C)(O)O
SMILES_CANONICAL	CACTVS	3.370	C[C@@H]1O[C@@H]1[P](O)(=O)O[V](O)(O)=O
SMILES	CACTVS	3.370	C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O
SMILES	OpenEye OEToolkits	1.7.2	CC1C(O1)P(=O)(O)O[V](=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H7O4P.2H2O.O.V/c1-2-3(7-2)8(4,5)6;;;;/h2-3H,1H3,(H2,4,5,6);2*1H2;;/q;;;;+3/p-3/t2-,3+;;;;/m0..../s1
InChIKey	InChI	1.03	NKJNPQRWDUSUDP-VKZMHLLXSA-K