(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one

C14H16O4S — CID 71505779

IUPAC(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
SMILESO=C1C[C@@H]2SC[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C14H16O4S/c15-10-8-19-11-6-12(16)18-14(11)13(10)17-7-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11+,13-,14-/m1/s1
InChIKeyARFFQLHGCNIQMN-ZMJPVWNMSA-N
MW280.34 g/mol
LogP1.36
Rot. Bonds3

About (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one

(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one (PubChem CID 71505779) has the molecular formula C14H16O4S and a molecular weight of 280.34 g/mol. Its IUPAC name is (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
PubChem CID71505779
Molecular FormulaC14H16O4S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
SMILESO=C1C[C@@H]2SC[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C14H16O4S/c15-10-8-19-11-6-12(16)18-14(11)13(10)17-7-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11+,13-,14-/m1/s1
InChIKeyARFFQLHGCNIQMN-ZMJPVWNMSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one 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

8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
(3aS,6S,7R,7aR)-4-benzyl-6,7-bis(phenylmethoxy)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one
CID 15545459
(3S,3aS,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434850
(3S,3aS,6aR)-2-[(S)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434851
methyl 2-[(2S,3R,4S,5S)-5-hydroxy-3,4-bis(phenylmethoxy)thian-2-yl]acetate
CID 102214934
(3aR,5R,8R,8aS)-8-chloro-5-phenylmethoxy-3,3a,4,5,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 14919491
(1R,4R,7R,8R)-6,8-dihydroxy-7-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-one
CID 122395977
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11070018
(2R,3R,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102030110

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one?
The IUPAC name of (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one (CID 71505779) is (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one.
What is the SMILES notation for (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one?
The canonical SMILES for (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one is O=C1C[C@@H]2SC[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2O1.
What is the InChIKey of (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one?
The InChIKey is ARFFQLHGCNIQMN-ZMJPVWNMSA-N. The full InChI is InChI=1S/C14H16O4S/c15-10-8-19-11-6-12(16)18-14(11)13(10)17-7-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11+,13-,14-/m1/s1.
What are the key properties of (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one?
(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one has a molecular weight of 280.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one is sourced from PubChem (CID 71505779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).