2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol

C8H16O7 — CID 20512830

IUPAC2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
SMILESOCC(O)COC1OCC(O)C(O)C1O
InChIInChI=1S/C8H16O7/c9-1-4(10)2-14-8-7(13)6(12)5(11)3-15-8/h4-13H,1-3H2
InChIKeyBZQBQGKZJCGZCL-UHFFFAOYSA-N
MW224.21 g/mol
LogP-3.20
Rot. Bonds4

About 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol

2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol (PubChem CID 20512830) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
PubChem CID20512830
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
SMILESOCC(O)COC1OCC(O)C(O)C1O
InChIInChI=1S/C8H16O7/c9-1-4(10)2-14-8-7(13)6(12)5(11)3-15-8/h4-13H,1-3H2
InChIKeyBZQBQGKZJCGZCL-UHFFFAOYSA-N
XLogP-3.20
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
CID 10829053
(2R,3R,4S,5S)-2-[[(2S,3R,4R,5R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-(2,3-dihydroxypropoxy)-4-hydroxyoxolan-2-yl]methoxy]oxane-3,4,5-triol
CID 171122513
(2R,3R,4S,5R)-2-[(2S)-2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]oxane-3,4,5-triol
CID 15489823
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
CID 121291371
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
(2R,3R,4S,5R)-2-(2-dodecylhexadecoxy)oxane-3,4,5-triol
CID 171369914
(2R,4R,5R)-2-(2-decyltetradecoxy)oxane-3,4,5-triol
CID 172641905
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol (CID 20512830) is 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol is OCC(O)COC1OCC(O)C(O)C1O.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol?
The InChIKey is BZQBQGKZJCGZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O7/c9-1-4(10)2-14-8-7(13)6(12)5(11)3-15-8/h4-13H,1-3H2.
What are the key properties of 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol?
2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol has a molecular weight of 224.21 g/mol, XLogP of -3.20, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol is sourced from PubChem (CID 20512830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).