(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)

C9H16O2W3Y3-2 — CID 59871259

IUPAC(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)
SMILES[CH2-]C1O[C@@H](OC)[CH-]C(C)[C@H]1C.[W].[W].[W].[Y].[Y].[Y]
InChIInChI=1S/C9H16O2.3W.3Y/c1-6-5-9(10-4)11-8(3)7(6)2;;;;;;/h5-9H,3H2,1-2,4H3;;;;;;/q-2;;;;;;/t6?,7-,8?,9-;;;;;;/m1....../s1
InChIKeyLRDFTLJVKATVQF-IIJKOFQOSA-N
MW974.46 g/mol
LogP1.65
Rot. Bonds1

About (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)

(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium) (PubChem CID 59871259) has the molecular formula C9H16O2W3Y3-2 and a molecular weight of 974.46 g/mol. Its IUPAC name is (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium).

Molecular Properties

Compound Name(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)
PubChem CID59871259
Molecular FormulaC9H16O2W3Y3-2
Molecular Weight974.46 g/mol
Exact Mass974.69
IUPAC Name(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)
SMILES[CH2-]C1O[C@@H](OC)[CH-]C(C)[C@H]1C.[W].[W].[W].[Y].[Y].[Y]
InChIInChI=1S/C9H16O2.3W.3Y/c1-6-5-9(10-4)11-8(3)7(6)2;;;;;;/h5-9H,3H2,1-2,4H3;;;;;;/q-2;;;;;;/t6?,7-,8?,9-;;;;;;/m1....../s1
InChIKeyLRDFTLJVKATVQF-IIJKOFQOSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500974.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R,6R)-2-methanidyl-3,4,5,6-tetramethyloxane;yttrium
CID 59027829
2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium
CID 59503941
CID 58940320
CID 58940320
[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium
CID 146746117
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
carbanide;(2S)-1-ethyl-2,3-dimethylcyclobutane;yttrium
CID 163461785
potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide
CID 159873953
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium
CID 59970207
carbanide;(4R,6S)-3-methanidyl-2,6-dimethoxy-4-methylbicyclo[3.1.0]hexane;uranium(2+)
CID 163597799
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)?
The IUPAC name of (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium) (CID 59871259) is (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium).
What is the SMILES notation for (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)?
The canonical SMILES for (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium) is [CH2-]C1O[C@@H](OC)[CH-]C(C)[C@H]1C.[W].[W].[W].[Y].[Y].[Y].
What is the InChIKey of (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)?
The InChIKey is LRDFTLJVKATVQF-IIJKOFQOSA-N. The full InChI is InChI=1S/C9H16O2.3W.3Y/c1-6-5-9(10-4)11-8(3)7(6)2;;;;;;/h5-9H,3H2,1-2,4H3;;;;;;/q-2;;;;;;/t6?,7-,8?,9-;;;;;;/m1....../s1.
What are the key properties of (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium)?
(3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium) has a molecular weight of 974.46 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2-methanidyl-6-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-pyran-5-ide;tungsten;tris(yttrium) is sourced from PubChem (CID 59871259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).