(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C11H20O9 — CID 59163159

IUPAC(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1O[C@@H](OC[C@H]2OCC(O)C2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O9/c12-1-5-8(15)9(16)10(17)11(20-5)19-3-6-7(14)4(13)2-18-6/h4-17H,1-3H2/t4?,5?,6-,7?,8+,9+,10?,11-/m1/s1
InChIKeyKJWOYQQOUZSCOH-YUBQFDKASA-N
MW296.27 g/mol
LogP-4.08
Rot. Bonds4

About (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59163159) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59163159
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1O[C@@H](OC[C@H]2OCC(O)C2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O9/c12-1-5-8(15)9(16)10(17)11(20-5)19-3-6-7(14)4(13)2-18-6/h4-17H,1-3H2/t4?,5?,6-,7?,8+,9+,10?,11-/m1/s1
InChIKeyKJWOYQQOUZSCOH-YUBQFDKASA-N
XLogP-4.08
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.27
LogP ≤ 5-4.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 156618751
(2S,5R)-2-[(3S,6R)-6-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160943943
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173055882
2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 20678344
(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59965356
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91853373
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 170012214
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91847673
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171933346
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S,3S)-3-hydroxyoxiran-2-yl]methoxy]oxane-3,4,5-triol
CID 171124876
(2R,5S)-2-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 147761063
(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101474403

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59163159) is (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1O[C@@H](OC[C@H]2OCC(O)C2O)C(O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is KJWOYQQOUZSCOH-YUBQFDKASA-N. The full InChI is InChI=1S/C11H20O9/c12-1-5-8(15)9(16)10(17)11(20-5)19-3-6-7(14)4(13)2-18-6/h4-17H,1-3H2/t4?,5?,6-,7?,8+,9+,10?,11-/m1/s1.
What are the key properties of (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 296.27 g/mol, XLogP of -4.08, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59163159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).