(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

C13H24O10S — CID 71165820

IUPAC(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1OC(CO)[C@@H](O[C@H]2O[C@H](CS(C)=O)C(O)[C@@H]2O)[C@H](O)C1O
InChIInChI=1S/C13H24O10S/c1-20-12-10(18)8(16)11(5(3-14)21-12)23-13-9(17)7(15)6(22-13)4-24(2)19/h5-18H,3-4H2,1-2H3/t5?,6-,7?,8-,9+,10?,11-,12+,13-,24?/m1/s1
InChIKeyVYZALAIRHAACDJ-UQAJCKNYSA-N
MW372.39 g/mol
LogP-3.72
Rot. Bonds6

About (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 71165820) has the molecular formula C13H24O10S and a molecular weight of 372.39 g/mol. Its IUPAC name is (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID71165820
Molecular FormulaC13H24O10S
Molecular Weight372.39 g/mol
Exact Mass372.11
IUPAC Name(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1OC(CO)[C@@H](O[C@H]2O[C@H](CS(C)=O)C(O)[C@@H]2O)[C@H](O)C1O
InChIInChI=1S/C13H24O10S/c1-20-12-10(18)8(16)11(5(3-14)21-12)23-13-9(17)7(15)6(22-13)4-24(2)19/h5-18H,3-4H2,1-2H3/t5?,6-,7?,8-,9+,10?,11-,12+,13-,24?/m1/s1
InChIKeyVYZALAIRHAACDJ-UQAJCKNYSA-N
XLogP-3.72
TPSA155.14 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 5-3.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 71165820) is (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is CO[C@H]1OC(CO)[C@@H](O[C@H]2O[C@H](CS(C)=O)C(O)[C@@H]2O)[C@H](O)C1O.
What is the InChIKey of (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is VYZALAIRHAACDJ-UQAJCKNYSA-N. The full InChI is InChI=1S/C13H24O10S/c1-20-12-10(18)8(16)11(5(3-14)21-12)23-13-9(17)7(15)6(22-13)4-24(2)19/h5-18H,3-4H2,1-2H3/t5?,6-,7?,8-,9+,10?,11-,12+,13-,24?/m1/s1.
What are the key properties of (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
(2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 372.39 g/mol, XLogP of -3.72, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-5-[(2S,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 71165820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).