2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol

C11H22O5S — CID 59345749

IUPAC2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol
SMILESCOCC1OC(OCCCCCS)C(O)C1O
InChIInChI=1S/C11H22O5S/c1-14-7-8-9(12)10(13)11(16-8)15-5-3-2-4-6-17/h8-13,17H,2-7H2,1H3
InChIKeyIOWQBANVRLVJAB-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.20
Rot. Bonds8

About 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol

2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol (PubChem CID 59345749) has the molecular formula C11H22O5S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol
PubChem CID59345749
Molecular FormulaC11H22O5S
Molecular Weight266.36 g/mol
Exact Mass266.12
IUPAC Name2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol
SMILESCOCC1OC(OCCCCCS)C(O)C1O
InChIInChI=1S/C11H22O5S/c1-14-7-8-9(12)10(13)11(16-8)15-5-3-2-4-6-17/h8-13,17H,2-7H2,1H3
InChIKeyIOWQBANVRLVJAB-UHFFFAOYSA-N
XLogP0.20
TPSA68.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-octoxyoxolan-2-yl]methoxy]-5-(methoxymethyl)oxolane-3,4-diol
CID 11165716
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(5-sulfanylpentoxy)oxane-3,4,5-triol
CID 87575557
(3S,4S,6S)-2-(hydroxymethyl)-6-(3-sulfanylpropoxy)oxane-3,4,5-triol
CID 118909583
(2R,4S,5R)-2-hexoxy-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 118908303
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2S,4S,5R)-2-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(5-sulfanylpentoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,4S,5R)-2-[(3R,4R,6R)-6-hexoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 159003884
2-[(5-decoxy-3,4-dihydroxyoxolan-2-yl)methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 545993
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-hexoxyoxane-3,4,5-triol
CID 131751182
4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(5-methoxypentoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]butoxyphosphinous acid
CID 162439633
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-octoxyoxane-3,4,5-triol
CID 66765447
(2S,3S,4R,5S,6R)-2-methyl-6-[3-(6-sulfanylhexylsulfanyl)propoxy]oxane-3,4,5-triol
CID 11187368
(3R,5S)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 145097816

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol?
The IUPAC name of 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol (CID 59345749) is 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol.
What is the SMILES notation for 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol?
The canonical SMILES for 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol is COCC1OC(OCCCCCS)C(O)C1O.
What is the InChIKey of 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol?
The InChIKey is IOWQBANVRLVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S/c1-14-7-8-9(12)10(13)11(16-8)15-5-3-2-4-6-17/h8-13,17H,2-7H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol?
2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol has a molecular weight of 266.36 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(5-sulfanylpentoxy)oxolane-3,4-diol is sourced from PubChem (CID 59345749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).