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

C13H24O10S — CID 58969911

IUPAC(2R,4R,5R)-5-[(2R,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-GMRNCRLXSA-N
MW372.39 g/mol
LogP-3.72
Rot. Bonds6

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

(2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 58969911) has the molecular formula C13H24O10S and a molecular weight of 372.39 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID58969911
Molecular FormulaC13H24O10S
Molecular Weight372.39 g/mol
Exact Mass372.11
IUPAC Name(2R,4R,5R)-5-[(2R,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-GMRNCRLXSA-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 (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
CID 656957
Propyl Thiopropyl Alpha-D-Mannopyranoside
CID 57339138
1-Sulfoquinovosylglycerol
CID 100920818
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methylsulfanyloxan-2-yl]sulfanyl-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 5288723
(2S,3R,4S,5R,6S)-2-[[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44156914
(2R,4aR,6R,7S,8S,8aR)-6-(hydroxymethyl)-2-(methylsulfonylmethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
CID 10685473
2,3-Dihydroxypropyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
CID 192765
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
CID 44575488
(2S,3R,4S,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44156920
sodium [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonate
CID 44575487
(2S,3S,4S,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44592201
(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

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 58969911) is (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,4R,5R)-5-[(2R,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 (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is VYZALAIRHAACDJ-GMRNCRLXSA-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 (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
(2R,4R,5R)-5-[(2R,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 (2R,4R,5R)-5-[(2R,3S,5S)-3,4-dihydroxy-5-(methylsulfinylmethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 58969911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).