(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol

C10H20O5 — CID 158611097

IUPAC(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
SMILESC[C@@H]1O[C@H](OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-5-6(11)7(12)8(13)9(14-5)15-10(2,3)4/h5-9,11-13H,1-4H3/t5-,6-,7+,8-,9+/m0/s1
InChIKeyFFDMEZPWNOFROT-VRGHQRLXSA-N
MW220.26 g/mol
LogP-0.37
Rot. Bonds1

About (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol (PubChem CID 158611097) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
PubChem CID158611097
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
SMILESC[C@@H]1O[C@H](OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-5-6(11)7(12)8(13)9(14-5)15-10(2,3)4/h5-9,11-13H,1-4H3/t5-,6-,7+,8-,9+/m0/s1
InChIKeyFFDMEZPWNOFROT-VRGHQRLXSA-N
XLogP-0.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

bis(2-tert-butylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol);2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
CID 160598864
2-[(2R,3S,4S,5S,6S)-3,5-dihydroxy-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-yl]guanidine
CID 122629742
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
[(3S,4R,5R,6R)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl] formate
CID 160711349
(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxane-2-carboxylic acid
CID 170193268
(2R,3S,4S,5S,6S)-4-[bis(2-aminoethyl)amino]-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,5-diol
CID 122629741
(2S,3R,4R,5R,6S)-2-methyl-6-trimethylsilyloxyoxane-3,4,5-triol
CID 100913639
2-methyl-6-[2-(4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl)propan-2-yloxy]oxane-3,4,5-triol
CID 163072754
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
2-methyl-6-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxyoxane-3,4,5-triol
CID 155082504

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol (CID 158611097) is (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol is C[C@@H]1O[C@H](OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol?
The InChIKey is FFDMEZPWNOFROT-VRGHQRLXSA-N. The full InChI is InChI=1S/C10H20O5/c1-5-6(11)7(12)8(13)9(14-5)15-10(2,3)4/h5-9,11-13H,1-4H3/t5-,6-,7+,8-,9+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol has a molecular weight of 220.26 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 158611097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).