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

C10H18O8 — CID 71070700

IUPAC(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
SMILESOC[C@H]1O[C@@H](O[C@H]2OC[C@@H](O)C[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O8/c11-2-6-7(14)8(15)10(17-6)18-9-5(13)1-4(12)3-16-9/h4-15H,1-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
InChIKeyGEHJIQVXUJOYHZ-RSZZQXBVSA-N
MW266.25 g/mol
LogP-3.09
Rot. Bonds3

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

(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol (PubChem CID 71070700) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
PubChem CID71070700
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
SMILESOC[C@H]1O[C@@H](O[C@H]2OC[C@@H](O)C[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O8/c11-2-6-7(14)8(15)10(17-6)18-9-5(13)1-4(12)3-16-9/h4-15H,1-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
InChIKeyGEHJIQVXUJOYHZ-RSZZQXBVSA-N
XLogP-3.09
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-3.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 174643366
(2R,3R,5S)-2-[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxyoxane-3,5-diol
CID 177164369
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
(2R,5S)-2-[(2R,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971830
(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 130253163

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The IUPAC name of (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol (CID 71070700) is (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol is OC[C@H]1O[C@@H](O[C@H]2OC[C@@H](O)C[C@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The InChIKey is GEHJIQVXUJOYHZ-RSZZQXBVSA-N. The full InChI is InChI=1S/C10H18O8/c11-2-6-7(14)8(15)10(17-6)18-9-5(13)1-4(12)3-16-9/h4-15H,1-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol has a molecular weight of 266.25 g/mol, XLogP of -3.09, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol is sourced from PubChem (CID 71070700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).