(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C16H26O6S2 — CID 134936484

IUPAC(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3C2(O)C2SCCCS2)O1
InChIInChI=1S/C16H26O6S2/c1-14(2)18-8-9(20-14)10-16(17,13-23-6-5-7-24-13)11-12(19-10)22-15(3,4)21-11/h9-13,17H,5-8H2,1-4H3/t9?,10-,11+,12-,16?/m1/s1
InChIKeyAXQSCBYOSSUDRW-PNMJKVHESA-N
MW378.51 g/mol
LogP1.94
Rot. Bonds2

About (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 134936484) has the molecular formula C16H26O6S2 and a molecular weight of 378.51 g/mol. Its IUPAC name is (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID134936484
Molecular FormulaC16H26O6S2
Molecular Weight378.51 g/mol
Exact Mass378.12
IUPAC Name(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3C2(O)C2SCCCS2)O1
InChIInChI=1S/C16H26O6S2/c1-14(2)18-8-9(20-14)10-16(17,13-23-6-5-7-24-13)11-12(19-10)22-15(3,4)21-11/h9-13,17H,5-8H2,1-4H3/t9?,10-,11+,12-,16?/m1/s1
InChIKeyAXQSCBYOSSUDRW-PNMJKVHESA-N
XLogP1.94
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 134936484) is (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3C2(O)C2SCCCS2)O1.
What is the InChIKey of (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is AXQSCBYOSSUDRW-PNMJKVHESA-N. The full InChI is InChI=1S/C16H26O6S2/c1-14(2)18-8-9(20-14)10-16(17,13-23-6-5-7-24-13)11-12(19-10)22-15(3,4)21-11/h9-13,17H,5-8H2,1-4H3/t9?,10-,11+,12-,16?/m1/s1.
What are the key properties of (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 378.51 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 134936484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).