(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol

C13H26O6 — CID 91331458

IUPAC(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
SMILESCCCO[C@H]1[C@H](O)[C@@H](COC)OC(O)[C@@H]1OCCC
InChIInChI=1S/C13H26O6/c1-4-6-17-11-10(14)9(8-16-3)19-13(15)12(11)18-7-5-2/h9-15H,4-8H2,1-3H3/t9-,10-,11+,12-,13?/m1/s1
InChIKeyCWMZNWMYNJFYJP-HENWMNBSSA-N
MW278.34 g/mol
LogP0.30
Rot. Bonds8

About (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol

(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol (PubChem CID 91331458) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
PubChem CID91331458
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
SMILESCCCO[C@H]1[C@H](O)[C@@H](COC)OC(O)[C@@H]1OCCC
InChIInChI=1S/C13H26O6/c1-4-6-17-11-10(14)9(8-16-3)19-13(15)12(11)18-7-5-2/h9-15H,4-8H2,1-3H3/t9-,10-,11+,12-,13?/m1/s1
InChIKeyCWMZNWMYNJFYJP-HENWMNBSSA-N
XLogP0.30
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol with MolForge

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Related Compounds

3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
CID 20739031
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
[(2R,3R,4S,5R,6S)-5-butoxy-3,6-dihydroxy-4-methoxyoxan-2-yl]methyl acetate
CID 141343493
(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,4-di(tetradecoxy)oxane-2,5-diol
CID 135126359
(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
CID 121254748
(3R,4R,5R)-3-butoxy-5-(hydroxymethyl)oxolane-2,4-diol
CID 70357171
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 66641660
3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 77157010

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol?
The IUPAC name of (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol (CID 91331458) is (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol.
What is the SMILES notation for (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol?
The canonical SMILES for (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol is CCCO[C@H]1[C@H](O)[C@@H](COC)OC(O)[C@@H]1OCCC.
What is the InChIKey of (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol?
The InChIKey is CWMZNWMYNJFYJP-HENWMNBSSA-N. The full InChI is InChI=1S/C13H26O6/c1-4-6-17-11-10(14)9(8-16-3)19-13(15)12(11)18-7-5-2/h9-15H,4-8H2,1-3H3/t9-,10-,11+,12-,13?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol?
(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol has a molecular weight of 278.34 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol is sourced from PubChem (CID 91331458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).