carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium

C31H54O9WY-2 — CID 158483266

IUPACcarbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium
SMILESCC.CC.[CH2-]C1O[CH-]C(OC)C(OC)C1OC1OC2COC(C)(C)OC2C(OC)C1OC.[CH2-]c1ccccc1.[CH3-].[W+2].[Y]
InChIInChI=1S/C19H32O9.C7H7.2C2H6.CH3.W.Y/c1-10-13(14(21-5)11(20-4)8-24-10)27-18-17(23-7)16(22-6)15-12(26-18)9-25-19(2,3)28-15;1-7-5-3-2-4-6-7;2*1-2;;;/h8,10-18H,1,9H2,2-7H3;2-6H,1H2;2*1-2H3;1H3;;/q-2;-1;;;-1;+2;
InChIKeyGBJJRWRVPKHWRT-UHFFFAOYSA-N
MW843.51 g/mol
LogP5.07
Rot. Bonds6

About carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium

carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium (PubChem CID 158483266) has the molecular formula C31H54O9WY-2 and a molecular weight of 843.51 g/mol. Its IUPAC name is carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium.

Molecular Properties

Compound Namecarbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium
PubChem CID158483266
Molecular FormulaC31H54O9WY-2
Molecular Weight843.51 g/mol
Exact Mass843.23
IUPAC Namecarbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium
SMILESCC.CC.[CH2-]C1O[CH-]C(OC)C(OC)C1OC1OC2COC(C)(C)OC2C(OC)C1OC.[CH2-]c1ccccc1.[CH3-].[W+2].[Y]
InChIInChI=1S/C19H32O9.C7H7.2C2H6.CH3.W.Y/c1-10-13(14(21-5)11(20-4)8-24-10)27-18-17(23-7)16(22-6)15-12(26-18)9-25-19(2,3)28-15;1-7-5-3-2-4-6-7;2*1-2;;;/h8,10-18H,1,9H2,2-7H3;2-6H,1H2;2*1-2H3;1H3;;/q-2;-1;;;-1;+2;
InChIKeyGBJJRWRVPKHWRT-UHFFFAOYSA-N
XLogP5.07
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium with MolForge

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Related Compounds

(2S,4aR,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 100941912
(4aR,7R,8S,8aR)-2,2-dimethyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 166514231
[(4aR,6R,7R,8S,8aR)-7-diphenylphosphanyloxy-2,2-dimethyl-6-[[(1R,2S,6R,7R,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-diphenylphosphane
CID 10795574
4,12,12-trimethyl-7-phenylmethoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 123547448
(4aR,6S,7R,8S,8aS)-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 12897372
(4aR,6S,7S,8R,8aS)-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 71750396
[(1R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-yl] benzoate
CID 71207104
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905
7-amino-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 12840404
(6S,8S,8aS)-6-[(3R,4S,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 70960078
(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(9H-fluoren-9-yloxy)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11247285
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45048567

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium?
The IUPAC name of carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium (CID 158483266) is carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium.
What is the SMILES notation for carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium?
The canonical SMILES for carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium is CC.CC.[CH2-]C1O[CH-]C(OC)C(OC)C1OC1OC2COC(C)(C)OC2C(OC)C1OC.[CH2-]c1ccccc1.[CH3-].[W+2].[Y].
What is the InChIKey of carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium?
The InChIKey is GBJJRWRVPKHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O9.C7H7.2C2H6.CH3.W.Y/c1-10-13(14(21-5)11(20-4)8-24-10)27-18-17(23-7)16(22-6)15-12(26-18)9-25-19(2,3)28-15;1-7-5-3-2-4-6-7;2*1-2;;;/h8,10-18H,1,9H2,2-7H3;2-6H,1H2;2*1-2H3;1H3;;/q-2;-1;;;-1;+2;.
What are the key properties of carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium?
carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium has a molecular weight of 843.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methanidylbenzene;6-[(2-methanidyl-4,5-dimethoxy-3,4,5,6-tetrahydro-2H-pyran-6-id-3-yl)oxy]-7,8-dimethoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;tungsten(2+);yttrium is sourced from PubChem (CID 158483266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).