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

C20H22O6S2 — CID 25198159

IUPAC(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESO=S(=O)(c1ccccc1)[C@@H]1CC[C@H]2O[C@H](S(=O)(=O)c3ccccc3)CC[C@H]2O1
InChIInChI=1S/C20H22O6S2/c21-27(22,15-7-3-1-4-8-15)19-13-11-18-17(25-19)12-14-20(26-18)28(23,24)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyVNMYYWYVVSSPDH-UAFMIMERSA-N
MW422.52 g/mol
LogP2.94
Rot. Bonds4

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

(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (PubChem CID 25198159) has the molecular formula C20H22O6S2 and a molecular weight of 422.52 g/mol. Its IUPAC name is (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
PubChem CID25198159
Molecular FormulaC20H22O6S2
Molecular Weight422.52 g/mol
Exact Mass422.09
IUPAC Name(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESO=S(=O)(c1ccccc1)[C@@H]1CC[C@H]2O[C@H](S(=O)(=O)c3ccccc3)CC[C@H]2O1
InChIInChI=1S/C20H22O6S2/c21-27(22,15-7-3-1-4-8-15)19-13-11-18-17(25-19)12-14-20(26-18)28(23,24)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m1/s1
InChIKeyVNMYYWYVVSSPDH-UAFMIMERSA-N
XLogP2.94
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-(Benzenesulfonyl)-6-[(4-fluorocyclohexyl)oxymethyl]oxane
CID 140423768
(6S)-2-(benzenesulfonyl)-6-[(4-fluorocyclohexyl)oxymethyl]oxane
CID 140438463
(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
(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25197716
(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
(2R,3S,4R,6R)-6-(benzenesulfonyl)-3,4-dimethoxy-2-(methoxymethyl)oxane
CID 134878455
(2S,6S)-2-(benzenesulfonyl)-6-butyloxane
CID 134882688
(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane
CID 134937109
(2S,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane
CID 134937110
(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 139190112
(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 139190114
2-[2-(Benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane
CID 162407445

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The IUPAC name of (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (CID 25198159) is (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The canonical SMILES for (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is O=S(=O)(c1ccccc1)[C@@H]1CC[C@H]2O[C@H](S(=O)(=O)c3ccccc3)CC[C@H]2O1.
What is the InChIKey of (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The InChIKey is VNMYYWYVVSSPDH-UAFMIMERSA-N. The full InChI is InChI=1S/C20H22O6S2/c21-27(22,15-7-3-1-4-8-15)19-13-11-18-17(25-19)12-14-20(26-18)28(23,24)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,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran has a molecular weight of 422.52 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is sourced from PubChem (CID 25198159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).