(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine

C20H20O6S — CID 11794640

IUPAC(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C20H20O6S/c1-23-18-12-17(27(21,22)15-10-6-3-7-11-15)19-16(25-18)13-24-20(26-19)14-8-4-2-5-9-14/h2-12,16,18-20H,13H2,1H3/t16-,18+,19-,20-/m1/s1
InChIKeyRLSBWHIXXGLTOF-GSEOLPGOSA-N
MW388.44 g/mol
LogP2.83
Rot. Bonds4

About (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine (PubChem CID 11794640) has the molecular formula C20H20O6S and a molecular weight of 388.44 g/mol. Its IUPAC name is (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
PubChem CID11794640
Molecular FormulaC20H20O6S
Molecular Weight388.44 g/mol
Exact Mass388.10
IUPAC Name(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C20H20O6S/c1-23-18-12-17(27(21,22)15-10-6-3-7-11-15)19-16(25-18)13-24-20(26-19)14-8-4-2-5-9-14/h2-12,16,18-20H,13H2,1H3/t16-,18+,19-,20-/m1/s1
InChIKeyRLSBWHIXXGLTOF-GSEOLPGOSA-N
XLogP2.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R,4aS,6S,8aR)-4-[bis(ethylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588352
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46871914
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46871913
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46890905
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46890957
2-Phenyl-1,3-dioxan-5-yl 4-methylbenzenesulfonate
CID 3089973
(5S,9S,10S)-8-(benzenesulfonyl)-6,6-difluoro-2,2-dimethyl-9-phenylmethoxy-1,3-dioxaspiro[4.5]dec-7-en-10-ol
CID 11190520
4-[Bis(propylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 434968
(2R,3S,4R)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 156044967
Tos(-2)[Tos(-3)][Bn(-4)]6-deoxy-Hex1Me
CID 359618
[2-(2,4-Difluorophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate
CID 18003675
(2S,3R,4S,5R,6R)-2,3-dimethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethylsulfonyl)oxane
CID 67351612

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine (CID 11794640) is (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine is CO[C@@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1.
What is the InChIKey of (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is RLSBWHIXXGLTOF-GSEOLPGOSA-N. The full InChI is InChI=1S/C20H20O6S/c1-23-18-12-17(27(21,22)15-10-6-3-7-11-15)19-16(25-18)13-24-20(26-19)14-8-4-2-5-9-14/h2-12,16,18-20H,13H2,1H3/t16-,18+,19-,20-/m1/s1.
What are the key properties of (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 388.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,8aR)-8-(benzenesulfonyl)-6-methoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 11794640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).