(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane

C17H30O5S2 — CID 10068246

IUPAC(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCO[C@@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H30O5S2/c1-16(2)19-10-12(20-16)15-14(21-17(3,4)22-15)11(18-5)9-13-23-7-6-8-24-13/h11-15H,6-10H2,1-5H3/t11-,12+,14+,15+/m0/s1
InChIKeyYGNHEAAIDBYKPU-CTHBEMJXSA-N
MW378.56 g/mol
LogP3.26
Rot. Bonds5

About (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10068246) has the molecular formula C17H30O5S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10068246
Molecular FormulaC17H30O5S2
Molecular Weight378.56 g/mol
Exact Mass378.15
IUPAC Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCO[C@@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H30O5S2/c1-16(2)19-10-12(20-16)15-14(21-17(3,4)22-15)11(18-5)9-13-23-7-6-8-24-13/h11-15H,6-10H2,1-5H3/t11-,12+,14+,15+/m0/s1
InChIKeyYGNHEAAIDBYKPU-CTHBEMJXSA-N
XLogP3.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane (CID 10068246) is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane is CO[C@@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is YGNHEAAIDBYKPU-CTHBEMJXSA-N. The full InChI is InChI=1S/C17H30O5S2/c1-16(2)19-10-12(20-16)15-14(21-17(3,4)22-15)11(18-5)9-13-23-7-6-8-24-13/h11-15H,6-10H2,1-5H3/t11-,12+,14+,15+/m0/s1.
What are the key properties of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 378.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1S)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10068246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).