(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol

C7H14O5S — CID 102166355

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
SMILESCO[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5S/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyPIPYSCSIIGQTDC-VEIUFWFVSA-N
MW210.25 g/mol
LogP-1.85
Rot. Bonds2

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol (PubChem CID 102166355) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
PubChem CID102166355
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
SMILESCO[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5S/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyPIPYSCSIIGQTDC-VEIUFWFVSA-N
XLogP-1.85
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxythian-3-yl]acetamide
CID 54078355
(2S,3R,4S,5R,6R)-2-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxymethyl]oxane-3,4,5-triol
CID 101173563
(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
CID 89349089
(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol
CID 177418193
(2R,3S,4R)-2-(hydroxymethyl)-5-[(2S)-2-iodopropyl]thiolane-3,4-diol
CID 163826921
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-methylanilino)phenoxy]thiane-3,4,5-triol
CID 59771417
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[4-[(4-methoxyphenyl)methyl]-3-pyridinyl]oxy]thiane-3,4,5-triol
CID 58696057
(2R,3R,4S,5S,6R)-2-[[3-[(4-ethylphenyl)methyl]-2-pyridinyl]oxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 58696035
(2R,3R,4S,5S,6R)-2-[2-[(4-ethoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 10046936
[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
CID 67739794
(3S,4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 118119140

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol (CID 102166355) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol is CO[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol?
The InChIKey is PIPYSCSIIGQTDC-VEIUFWFVSA-N. The full InChI is InChI=1S/C7H14O5S/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol has a molecular weight of 210.25 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol is sourced from PubChem (CID 102166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).