(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

C20H22O2S2 — CID 25198004

IUPAC(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESc1ccc(SC2CC[C@H]3O[C@H](Sc4ccccc4)CC[C@H]3O2)cc1
InChIInChI=1S/C20H22O2S2/c1-3-7-15(8-4-1)23-19-13-11-18-17(21-19)12-14-20(22-18)24-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20?/m1/s1
InChIKeyZONWUFQROHRJIM-SDWZKWEYSA-N
MW358.53 g/mol
LogP5.58
Rot. Bonds4

About (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (PubChem CID 25198004) has the molecular formula C20H22O2S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
PubChem CID25198004
Molecular FormulaC20H22O2S2
Molecular Weight358.53 g/mol
Exact Mass358.11
IUPAC Name(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESc1ccc(SC2CC[C@H]3O[C@H](Sc4ccccc4)CC[C@H]3O2)cc1
InChIInChI=1S/C20H22O2S2/c1-3-7-15(8-4-1)23-19-13-11-18-17(21-19)12-14-20(22-18)24-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20?/m1/s1
InChIKeyZONWUFQROHRJIM-SDWZKWEYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran with MolForge

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Launch Full Analysis

Related Compounds

(3R,4aR,7R,8aR)-2,2,6,6-tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 11258503
(3S,4aR,7R,8aS)-2,2,6,6-tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 101265138
(1S,3R,8R,10S)-9,9-bis(phenylsulfanyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane
CID 10501947
2-(5-Phenylsulfanylpentyl)oxane
CID 23326659
6-(Oxan-2-yl)hexyl-diphenylsulfanium
CID 23326684
2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene
CID 141103662
4-Phenyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxathiin-4-ium
CID 155635542
(3S,4S,6R)-2-ethyl-6-phenylsulfanyloxane-3,4,5-triol;(3S,4S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 161781424
(2S,3S)-2-pentyl-3-phenylsulfanyloxane
CID 162514462
2-Pentyl-3-phenylsulfanyloxane
CID 175444956
2,2,6,6-Tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 5252094
(4R,6S,7S,11R)-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
CID 10672130

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The IUPAC name of (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (CID 25198004) is (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The canonical SMILES for (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is c1ccc(SC2CC[C@H]3O[C@H](Sc4ccccc4)CC[C@H]3O2)cc1.
What is the InChIKey of (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The InChIKey is ZONWUFQROHRJIM-SDWZKWEYSA-N. The full InChI is InChI=1S/C20H22O2S2/c1-3-7-15(8-4-1)23-19-13-11-18-17(21-19)12-14-20(22-18)24-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20?/m1/s1.
What are the key properties of (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
(2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran has a molecular weight of 358.53 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aR)-2,6-bis(phenylsulfanyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is sourced from PubChem (CID 25198004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).