(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol

C18H32O10 — CID 11732292

IUPAC(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol
SMILESCO[C@@]1(C)O[C@@H]2C(O)[C@@H]3O[C@@](C)(OC)[C@](C)(OC)O[C@H]3C(O)[C@H]2O[C@]1(C)OC
InChIInChI=1S/C18H32O10/c1-15(21-5)16(2,22-6)26-12-10(20)14-13(9(19)11(12)25-15)27-17(3,23-7)18(4,24-8)28-14/h9-14,19-20H,1-8H3/t9?,10?,11-,12-,13+,14+,15+,16+,17-,18-
InChIKeyFXLIBKBYQRHULW-OVOAFUDKSA-N
MW408.44 g/mol
LogP-0.26
Rot. Bonds4

About (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol

(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol (PubChem CID 11732292) has the molecular formula C18H32O10 and a molecular weight of 408.44 g/mol. Its IUPAC name is (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol.

Molecular Properties

Compound Name(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol
PubChem CID11732292
Molecular FormulaC18H32O10
Molecular Weight408.44 g/mol
Exact Mass408.20
IUPAC Name(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol
SMILESCO[C@@]1(C)O[C@@H]2C(O)[C@@H]3O[C@@](C)(OC)[C@](C)(OC)O[C@H]3C(O)[C@H]2O[C@]1(C)OC
InChIInChI=1S/C18H32O10/c1-15(21-5)16(2,22-6)26-12-10(20)14-13(9(19)11(12)25-15)27-17(3,23-7)18(4,24-8)28-14/h9-14,19-20H,1-8H3/t9?,10?,11-,12-,13+,14+,15+,16+,17-,18-
InChIKeyFXLIBKBYQRHULW-OVOAFUDKSA-N
XLogP-0.26
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol?
The IUPAC name of (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol (CID 11732292) is (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol.
What is the SMILES notation for (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol?
The canonical SMILES for (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol is CO[C@@]1(C)O[C@@H]2C(O)[C@@H]3O[C@@](C)(OC)[C@](C)(OC)O[C@H]3C(O)[C@H]2O[C@]1(C)OC.
What is the InChIKey of (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol?
The InChIKey is FXLIBKBYQRHULW-OVOAFUDKSA-N. The full InChI is InChI=1S/C18H32O10/c1-15(21-5)16(2,22-6)26-12-10(20)14-13(9(19)11(12)25-15)27-17(3,23-7)18(4,24-8)28-14/h9-14,19-20H,1-8H3/t9?,10?,11-,12-,13+,14+,15+,16+,17-,18-.
What are the key properties of (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol?
(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol has a molecular weight of 408.44 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol is sourced from PubChem (CID 11732292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).