Bis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol

HCID 86752299
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Basic information

Standard SMILES
COC(=O)c1c2c(c(C(O)(c3c4c(c(C(=O)OC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c4c(c(C(=O)OC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2
InChIKey
YVTSXLQFDXAFCH-UHFFFAOYSA-N
Molecular formula
C43H46O15S4
Average molar mass
931.1 g/mol

Names & identifiers

Preferred name
Bis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol
IUPAC
methyl 8-[hydroxy-(4-methoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-8-yl)-(4-methoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole-4-carboxylate

Names & synonyms

SCHEMBL8045612YVTSXLQFDXAFCH-UHFFFAOYSA-NBis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol

Database identifiers

PubChem CID
86752299

Properties

Computed structural properties

XLogP
8.5
Topological polar surface area
274 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
19
Rotatable bonds
9
Heavy atoms
62

Related reactions

2 records
New reaction record

Linked notes

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