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

C11H20O9 — CID 91857116

IUPAC(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol
SMILESCO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2O)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O9/c1-17-9-6(14)4(13)3-18-11(9)20-8-7(15)5(2-12)19-10(8)16/h4-16H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10-,11+/m1/s1
InChIKeyUVJWGCSGUIHHBE-OBBIAHTBSA-N
MW296.27 g/mol
LogP-3.46
Rot. Bonds4

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

(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol (PubChem CID 91857116) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol
PubChem CID91857116
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol
SMILESCO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2O)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O9/c1-17-9-6(14)4(13)3-18-11(9)20-8-7(15)5(2-12)19-10(8)16/h4-16H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10-,11+/m1/s1
InChIKeyUVJWGCSGUIHHBE-OBBIAHTBSA-N
XLogP-3.46
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-3.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,4,5-triol
CID 52921646
(3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 656512
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 91858046
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 156619275
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 91851492
2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 177339487
(3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91850248
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91854524
(3R,4R,5S)-4-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolane-2,3-diol
CID 91845536
(3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 71298073
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 56632603

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol?
The IUPAC name of (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol (CID 91857116) is (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol is CO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2O)OC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol?
The InChIKey is UVJWGCSGUIHHBE-OBBIAHTBSA-N. The full InChI is InChI=1S/C11H20O9/c1-17-9-6(14)4(13)3-18-11(9)20-8-7(15)5(2-12)19-10(8)16/h4-16H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10-,11+/m1/s1.
What are the key properties of (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol?
(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol has a molecular weight of 296.27 g/mol, XLogP of -3.46, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol is sourced from PubChem (CID 91857116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).