2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol

C11H20O9 — CID 118049141

IUPAC2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
SMILESOCC1CC(OC2OCC(O)C(O)C2O)C(O)C(O)O1
InChIInChI=1S/C11H20O9/c12-2-4-1-6(8(15)10(17)19-4)20-11-9(16)7(14)5(13)3-18-11/h4-17H,1-3H2
InChIKeySWOCPFLCPVOTPQ-UHFFFAOYSA-N
MW296.27 g/mol
LogP-3.73
Rot. Bonds3

About 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol

2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol (PubChem CID 118049141) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
PubChem CID118049141
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
SMILESOCC1CC(OC2OCC(O)C(O)C2O)C(O)C(O)O1
InChIInChI=1S/C11H20O9/c12-2-4-1-6(8(15)10(17)19-4)20-11-9(16)7(14)5(13)3-18-11/h4-17H,1-3H2
InChIKeySWOCPFLCPVOTPQ-UHFFFAOYSA-N
XLogP-3.73
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.27
LogP ≤ 5-3.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol?
The IUPAC name of 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol (CID 118049141) is 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol is OCC1CC(OC2OCC(O)C(O)C2O)C(O)C(O)O1.
What is the InChIKey of 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol?
The InChIKey is SWOCPFLCPVOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O9/c12-2-4-1-6(8(15)10(17)19-4)20-11-9(16)7(14)5(13)3-18-11/h4-17H,1-3H2.
What are the key properties of 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol?
2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol has a molecular weight of 296.27 g/mol, XLogP of -3.73, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 118049141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).