(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol

C9H16O3S2 — CID 10537811

IUPAC(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
SMILESOC[C@H]1CC2(CC(O)O1)SCCCS2
InChIInChI=1S/C9H16O3S2/c10-6-7-4-9(5-8(11)12-7)13-2-1-3-14-9/h7-8,10-11H,1-6H2/t7-,8?/m1/s1
InChIKeyFZOWQPYAFMVHIL-GVHYBUMESA-N
MW236.36 g/mol
LogP1.04
Rot. Bonds1

About (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol

(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol (PubChem CID 10537811) has the molecular formula C9H16O3S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
PubChem CID10537811
Molecular FormulaC9H16O3S2
Molecular Weight236.36 g/mol
Exact Mass236.05
IUPAC Name(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
SMILESOC[C@H]1CC2(CC(O)O1)SCCCS2
InChIInChI=1S/C9H16O3S2/c10-6-7-4-9(5-8(11)12-7)13-2-1-3-14-9/h7-8,10-11H,1-6H2/t7-,8?/m1/s1
InChIKeyFZOWQPYAFMVHIL-GVHYBUMESA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Thiocellobiose
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CID 5288723
(3S,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-2,3,5-triol
CID 118724533
(2S,3R,4S,5R)-2-[(2R,3R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 46227214
(2S,3R,4S,5R)-2-[(2R,3R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 46227854
5-thio-Ido(b1-3)b-Ido1Me
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5-thio-Ido(b1-6)b-Ido1Me
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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The IUPAC name of (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol (CID 10537811) is (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The canonical SMILES for (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol is OC[C@H]1CC2(CC(O)O1)SCCCS2.
What is the InChIKey of (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The InChIKey is FZOWQPYAFMVHIL-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16O3S2/c10-6-7-4-9(5-8(11)12-7)13-2-1-3-14-9/h7-8,10-11H,1-6H2/t7-,8?/m1/s1.
What are the key properties of (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol has a molecular weight of 236.36 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 10537811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).