(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol

C11H18O9 — CID 71026784

IUPAC(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@@H]1O[C@@](CO)(O[C@H]2OC=C(O)C(O)C2O)CC1O
InChIInChI=1S/C11H18O9/c12-2-7-5(14)1-11(4-13,19-7)20-10-9(17)8(16)6(15)3-18-10/h3,5,7-10,12-17H,1-2,4H2/t5?,7-,8?,9?,10+,11+/m0/s1
InChIKeyGFZXEAGTIGIBFD-VRCYJZPHSA-N
MW294.26 g/mol
LogP-2.69
Rot. Bonds4

About (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol

(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 71026784) has the molecular formula C11H18O9 and a molecular weight of 294.26 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
PubChem CID71026784
Molecular FormulaC11H18O9
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@@H]1O[C@@](CO)(O[C@H]2OC=C(O)C(O)C2O)CC1O
InChIInChI=1S/C11H18O9/c12-2-7-5(14)1-11(4-13,19-7)20-10-9(17)8(16)6(15)3-18-10/h3,5,7-10,12-17H,1-2,4H2/t5?,7-,8?,9?,10+,11+/m0/s1
InChIKeyGFZXEAGTIGIBFD-VRCYJZPHSA-N
XLogP-2.69
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.26
LogP ≤ 5-2.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 11062955
(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
CID 24885981
(1R,2R,3S,6S,7S,8S)-3-(hydroxymethyl)-6-[[(2S)-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 71032624
(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 89126678
(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 131201868
CID 58213413
CID 58213413
(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
CID 69088897
(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 18666633
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 10154424
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
CID 146016125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The IUPAC name of (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol (CID 71026784) is (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol.
What is the SMILES notation for (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The canonical SMILES for (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol is OC[C@@H]1O[C@@](CO)(O[C@H]2OC=C(O)C(O)C2O)CC1O.
What is the InChIKey of (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The InChIKey is GFZXEAGTIGIBFD-VRCYJZPHSA-N. The full InChI is InChI=1S/C11H18O9/c12-2-7-5(14)1-11(4-13,19-7)20-10-9(17)8(16)6(15)3-18-10/h3,5,7-10,12-17H,1-2,4H2/t5?,7-,8?,9?,10+,11+/m0/s1.
What are the key properties of (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?
(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 294.26 g/mol, XLogP of -2.69, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 71026784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).