(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

C17H24O6 — CID 100941912

IUPAC(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
SMILESCO[C@H]1O[C@@H]2CO[C@](C)(c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C17H24O6/c1-17(11-8-6-5-7-9-11)21-10-12-13(23-17)14(18-2)15(19-3)16(20-4)22-12/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16+,17+/m1/s1
InChIKeyXHBLRYOWCPZOGD-JHMPBIJASA-N
MW324.37 g/mol
LogP1.68
Rot. Bonds4

About (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

(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 (PubChem CID 100941912) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID100941912
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name(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
SMILESCO[C@H]1O[C@@H]2CO[C@](C)(c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC
InChIInChI=1S/C17H24O6/c1-17(11-8-6-5-7-9-11)21-10-12-13(23-17)14(18-2)15(19-3)16(20-4)22-12/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16+,17+/m1/s1
InChIKeyXHBLRYOWCPZOGD-JHMPBIJASA-N
XLogP1.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(2S,4aR,6R,7S,8R,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124837438
(2S,4aR,6R,7R,8S,8aR)-7-azido-6-methoxy-2-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124837440
(2S,4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 92843937
(2S,4aR,6R,7S,8S,8aS)-7-acetyloxy-2-methyl-2-phenyl-8-(trifluoromethylsulfonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 138505824
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
[(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)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 67230728
4,12,12-trimethyl-7-phenylmethoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 123547448
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
(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,8S,8aR)-6-methoxy-4',5',7,8-tetrakis(phenylmethoxy)-6'-(phenylmethoxymethyl)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,2'-oxane]
CID 134847324
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@H]1O[C@@H]2CO[C@](C)(c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OC.
What is the InChIKey of (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?
The InChIKey is XHBLRYOWCPZOGD-JHMPBIJASA-N. The full InChI is InChI=1S/C17H24O6/c1-17(11-8-6-5-7-9-11)21-10-12-13(23-17)14(18-2)15(19-3)16(20-4)22-12/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16+,17+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 324.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 100941912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).