(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol

C12H22O10 — CID 71024599

IUPAC(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCC1O[C@H](O[C@]2(CO)O[C@@H](CO)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c1-4-6(15)8(17)9(18)11(20-4)22-12(3-14)10(19)7(16)5(2-13)21-12/h4-11,13-19H,2-3H2,1H3/t4?,5-,6+,7?,8-,9?,10+,11+,12-/m0/s1
InChIKeyXTZDYCVKIDQZIN-GLPKNJLQSA-N
MW326.30 g/mol
LogP-4.37
Rot. Bonds4

About (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol

(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 71024599) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol
PubChem CID71024599
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCC1O[C@H](O[C@]2(CO)O[C@@H](CO)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O10/c1-4-6(15)8(17)9(18)11(20-4)22-12(3-14)10(19)7(16)5(2-13)21-12/h4-11,13-19H,2-3H2,1H3/t4?,5-,6+,7?,8-,9?,10+,11+,12-/m0/s1
InChIKeyXTZDYCVKIDQZIN-GLPKNJLQSA-N
XLogP-4.37
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 5-4.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173264286
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170923599
(3R,4S,5R,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6326101
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94011386
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;ethane-1,2-diol
CID 69428885
(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;molecular nitrogen
CID 141027968
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11834368
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;silicic acid
CID 131713215
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(methoxymethyl)oxane-3,4,5-triol;iron
CID 174969776
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2-hydroxyethoxy)ethanol
CID 66887107

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol (CID 71024599) is (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol is CC1O[C@H](O[C@]2(CO)O[C@@H](CO)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol?
The InChIKey is XTZDYCVKIDQZIN-GLPKNJLQSA-N. The full InChI is InChI=1S/C12H22O10/c1-4-6(15)8(17)9(18)11(20-4)22-12(3-14)10(19)7(16)5(2-13)21-12/h4-11,13-19H,2-3H2,1H3/t4?,5-,6+,7?,8-,9?,10+,11+,12-/m0/s1.
What are the key properties of (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol?
(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 326.30 g/mol, XLogP of -4.37, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 71024599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).