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

C14H24O4S2 — CID 10064647

IUPAC(4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
SMILESCO[C@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CO1
InChIInChI=1S/C14H24O4S2/c1-14(2)17-12(13(18-14)10-8-16-10)9(15-3)7-11-19-5-4-6-20-11/h9-13H,4-8H2,1-3H3/t9-,10-,12-,13-/m1/s1
InChIKeyNEABRTPGNIULNF-FPQZTECRSA-N
MW320.48 g/mol
LogP2.51
Rot. Bonds5

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

(4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane (PubChem CID 10064647) has the molecular formula C14H24O4S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
PubChem CID10064647
Molecular FormulaC14H24O4S2
Molecular Weight320.48 g/mol
Exact Mass320.11
IUPAC Name(4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
SMILESCO[C@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CO1
InChIInChI=1S/C14H24O4S2/c1-14(2)17-12(13(18-14)10-8-16-10)9(15-3)7-11-19-5-4-6-20-11/h9-13H,4-8H2,1-3H3/t9-,10-,12-,13-/m1/s1
InChIKeyNEABRTPGNIULNF-FPQZTECRSA-N
XLogP2.51
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane (CID 10064647) is (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane is CO[C@H](CC1SCCCS1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1CO1.
What is the InChIKey of (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane?
The InChIKey is NEABRTPGNIULNF-FPQZTECRSA-N. The full InChI is InChI=1S/C14H24O4S2/c1-14(2)17-12(13(18-14)10-8-16-10)9(15-3)7-11-19-5-4-6-20-11/h9-13H,4-8H2,1-3H3/t9-,10-,12-,13-/m1/s1.
What are the key properties of (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane?
(4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane has a molecular weight of 320.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane is sourced from PubChem (CID 10064647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).