(2S,4R,5R)-2-methoxyoxane-3,4,5-triol

C6H12O5 — CID 24802344

IUPAC(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5?,6+/m1/s1
InChIKeyZBDGHWFPLXXWRD-CERMHHMHSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds1

About (2S,4R,5R)-2-methoxyoxane-3,4,5-triol

(2S,4R,5R)-2-methoxyoxane-3,4,5-triol (PubChem CID 24802344) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S,4R,5R)-2-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
PubChem CID24802344
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5?,6+/m1/s1
InChIKeyZBDGHWFPLXXWRD-CERMHHMHSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
CID 45093703
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 10924935
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-methoxyoxane-3,4,5-triol?
The IUPAC name of (2S,4R,5R)-2-methoxyoxane-3,4,5-triol (CID 24802344) is (2S,4R,5R)-2-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,4R,5R)-2-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,4R,5R)-2-methoxyoxane-3,4,5-triol is CO[C@H]1OC[C@@H](O)[C@@H](O)C1O.
What is the InChIKey of (2S,4R,5R)-2-methoxyoxane-3,4,5-triol?
The InChIKey is ZBDGHWFPLXXWRD-CERMHHMHSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5?,6+/m1/s1.
What are the key properties of (2S,4R,5R)-2-methoxyoxane-3,4,5-triol?
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol has a molecular weight of 164.16 g/mol, XLogP of -1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 24802344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).