(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane

C24H36O6S2 — CID 10028315

IUPAC(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(CO[C@H](CC2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C24H36O6S2/c1-23(2)27-15-19(28-23)22-21(29-24(3,4)30-22)18(13-20-31-11-6-12-32-20)26-14-16-7-9-17(25-5)10-8-16/h7-10,18-22H,6,11-15H2,1-5H3/t18-,19-,21-,22-/m1/s1
InChIKeyXZPLRYBSZQMUSV-UGESXGAOSA-N
MW484.68 g/mol
LogP4.84
Rot. Bonds8

About (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10028315) has the molecular formula C24H36O6S2 and a molecular weight of 484.68 g/mol. Its IUPAC name is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10028315
Molecular FormulaC24H36O6S2
Molecular Weight484.68 g/mol
Exact Mass484.20
IUPAC Name(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(CO[C@H](CC2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C24H36O6S2/c1-23(2)27-15-19(28-23)22-21(29-24(3,4)30-22)18(13-20-31-11-6-12-32-20)26-14-16-7-9-17(25-5)10-8-16/h7-10,18-22H,6,11-15H2,1-5H3/t18-,19-,21-,22-/m1/s1
InChIKeyXZPLRYBSZQMUSV-UGESXGAOSA-N
XLogP4.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-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-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane (CID 10028315) is (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-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-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane is COc1ccc(CO[C@H](CC2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XZPLRYBSZQMUSV-UGESXGAOSA-N. The full InChI is InChI=1S/C24H36O6S2/c1-23(2)27-15-19(28-23)22-21(29-24(3,4)30-22)18(13-20-31-11-6-12-32-20)26-14-16-7-9-17(25-5)10-8-16/h7-10,18-22H,6,11-15H2,1-5H3/t18-,19-,21-,22-/m1/s1.
What are the key properties of (4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 484.68 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 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-[(1R)-2-(1,3-dithian-2-yl)-1-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10028315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).