(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol

C30H34O6 — CID 10601137

IUPAC(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]12CCCO2
InChIInChI=1S/C30H34O6/c31-29-28(34-21-25-15-8-3-9-16-25)27(33-20-24-13-6-2-7-14-24)26(36-30(29)17-10-18-35-30)22-32-19-23-11-4-1-5-12-23/h1-9,11-16,26-29,31H,10,17-22H2/t26-,27-,28+,29-,30+/m1/s1
InChIKeyIKWGVSISVZBXEI-RLXMVLCYSA-N
MW490.60 g/mol
LogP4.64
Rot. Bonds10

About (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol

(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol (PubChem CID 10601137) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol.

Molecular Properties

Compound Name(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol
PubChem CID10601137
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]12CCCO2
InChIInChI=1S/C30H34O6/c31-29-28(34-21-25-15-8-3-9-16-25)27(33-20-24-13-6-2-7-14-24)26(36-30(29)17-10-18-35-30)22-32-19-23-11-4-1-5-12-23/h1-9,11-16,26-29,31H,10,17-22H2/t26-,27-,28+,29-,30+/m1/s1
InChIKeyIKWGVSISVZBXEI-RLXMVLCYSA-N
XLogP4.64
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol?
The IUPAC name of (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol (CID 10601137) is (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol.
What is the SMILES notation for (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol?
The canonical SMILES for (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol is O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]12CCCO2.
What is the InChIKey of (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol?
The InChIKey is IKWGVSISVZBXEI-RLXMVLCYSA-N. The full InChI is InChI=1S/C30H34O6/c31-29-28(34-21-25-15-8-3-9-16-25)27(33-20-24-13-6-2-7-14-24)26(36-30(29)17-10-18-35-30)22-32-19-23-11-4-1-5-12-23/h1-9,11-16,26-29,31H,10,17-22H2/t26-,27-,28+,29-,30+/m1/s1.
What are the key properties of (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol?
(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol has a molecular weight of 490.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol is sourced from PubChem (CID 10601137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).