(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

C30H40O10S2 — CID 139190112

IUPAC(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1.CO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1
InChIInChI=1S/2C15H20O5S/c2*1-18-14-9-7-13-12(19-14)8-10-15(20-13)21(16,17)11-5-3-2-4-6-11/h2*2-6,12-15H,7-10H2,1H3/t2*12-,13-,14+,15-/m00/s1
InChIKeyUUEYNHQOLHLSDZ-VDKPENAXSA-N
MW624.77 g/mol
LogP4.23
Rot. Bonds6

About (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran

(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (PubChem CID 139190112) has the molecular formula C30H40O10S2 and a molecular weight of 624.77 g/mol. Its IUPAC name is (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
PubChem CID139190112
Molecular FormulaC30H40O10S2
Molecular Weight624.77 g/mol
Exact Mass624.21
IUPAC Name(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
SMILESCO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1.CO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1
InChIInChI=1S/2C15H20O5S/c2*1-18-14-9-7-13-12(19-14)8-10-15(20-13)21(16,17)11-5-3-2-4-6-11/h2*2-6,12-15H,7-10H2,1H3/t2*12-,13-,14+,15-/m00/s1
InChIKeyUUEYNHQOLHLSDZ-VDKPENAXSA-N
XLogP4.23
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25197716
(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134937002
(6S,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134938211
(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 139190114
(2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-(phenylsulfonyl)ethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 164889167
(2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-(phenylsulfonyl)ethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 164889197
(4R,6S,7S,11R)-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
CID 10672130
(2R,4aR,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25198003
(2R,4aR,6R,8aR)-2,6-bis(benzenesulfonyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25198159
[(4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-7-phenylsulfanyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-yl] phenylmethanesulfonate
CID 62707369
(4R,6S,7R,11R)-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
CID 101038433
(4S,6S,7R,11S)-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
CID 101038434

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The IUPAC name of (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran (CID 139190112) is (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The canonical SMILES for (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is CO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1.CO[C@H]1CC[C@@H]2O[C@@H](S(=O)(=O)c3ccccc3)CC[C@@H]2O1.
What is the InChIKey of (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
The InChIKey is UUEYNHQOLHLSDZ-VDKPENAXSA-N. The full InChI is InChI=1S/2C15H20O5S/c2*1-18-14-9-7-13-12(19-14)8-10-15(20-13)21(16,17)11-5-3-2-4-6-11/h2*2-6,12-15H,7-10H2,1H3/t2*12-,13-,14+,15-/m00/s1.
What are the key properties of (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran?
(2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran has a molecular weight of 624.77 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,6R,8aS)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran is sourced from PubChem (CID 139190112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).