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

C11H20O8 — CID 169040223

IUPAC(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol
SMILESC[C@@H]1OCC(O)[C@H](O[C@@H]2OC[C@](O)(CO)C2O)C1O
InChIInChI=1S/C11H20O8/c1-5-7(14)8(6(13)2-17-5)19-10-9(15)11(16,3-12)4-18-10/h5-10,12-16H,2-4H2,1H3/t5-,6?,7?,8-,9?,10-,11+/m0/s1
InChIKeyFILPBMZMJONXTR-BEUONKTKSA-N
MW280.27 g/mol
LogP-3.05
Rot. Bonds3

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

(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol (PubChem CID 169040223) has the molecular formula C11H20O8 and a molecular weight of 280.27 g/mol. Its IUPAC name is (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol
PubChem CID169040223
Molecular FormulaC11H20O8
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol
SMILESC[C@@H]1OCC(O)[C@H](O[C@@H]2OC[C@](O)(CO)C2O)C1O
InChIInChI=1S/C11H20O8/c1-5-7(14)8(6(13)2-17-5)19-10-9(15)11(16,3-12)4-18-10/h5-10,12-16H,2-4H2,1H3/t5-,6?,7?,8-,9?,10-,11+/m0/s1
InChIKeyFILPBMZMJONXTR-BEUONKTKSA-N
XLogP-3.05
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 102390249
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 101357666
(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4-diol
CID 10668916
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
(2R,3S,4S,5R,6S)-5-[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4-diol
CID 177436585
(2R,3S,4S,5R,6S)-5-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4-diol
CID 163172826
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 637312

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol?
The IUPAC name of (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol (CID 169040223) is (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol.
What is the SMILES notation for (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol?
The canonical SMILES for (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol is C[C@@H]1OCC(O)[C@H](O[C@@H]2OC[C@](O)(CO)C2O)C1O.
What is the InChIKey of (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol?
The InChIKey is FILPBMZMJONXTR-BEUONKTKSA-N. The full InChI is InChI=1S/C11H20O8/c1-5-7(14)8(6(13)2-17-5)19-10-9(15)11(16,3-12)4-18-10/h5-10,12-16H,2-4H2,1H3/t5-,6?,7?,8-,9?,10-,11+/m0/s1.
What are the key properties of (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol?
(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol has a molecular weight of 280.27 g/mol, XLogP of -3.05, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol is sourced from PubChem (CID 169040223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).