(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol

C10H18O5 — CID 100945608

IUPAC(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol
SMILESO[C@@H]1CCCO[C@H]1O[C@@H]1COCC[C@H]1O
InChIInChI=1S/C10H18O5/c11-7-3-5-13-6-9(7)15-10-8(12)2-1-4-14-10/h7-12H,1-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyFKRQWCZDYWJRNL-KYXWUPHJSA-N
MW218.25 g/mol
LogP-0.35
Rot. Bonds2

About (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol

(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol (PubChem CID 100945608) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol
PubChem CID100945608
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol
SMILESO[C@@H]1CCCO[C@H]1O[C@@H]1COCC[C@H]1O
InChIInChI=1S/C10H18O5/c11-7-3-5-13-6-9(7)15-10-8(12)2-1-4-14-10/h7-12H,1-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyFKRQWCZDYWJRNL-KYXWUPHJSA-N
XLogP-0.35
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol?
The IUPAC name of (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol (CID 100945608) is (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol?
The canonical SMILES for (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol is O[C@@H]1CCCO[C@H]1O[C@@H]1COCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol?
The InChIKey is FKRQWCZDYWJRNL-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H18O5/c11-7-3-5-13-6-9(7)15-10-8(12)2-1-4-14-10/h7-12H,1-6H2/t7-,8-,9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol?
(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol has a molecular weight of 218.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol is sourced from PubChem (CID 100945608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).