(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol

C7H14O5 — CID 15558282

IUPAC(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
SMILESCO[C@H]1[C@@H](O)[C@@H](C)OC(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4+,5-,6+,7?/m1/s1
InChIKeyOEKPKBBXXDGXNB-MSPRSRQBSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds1

About (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol

(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol (PubChem CID 15558282) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
PubChem CID15558282
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
SMILESCO[C@H]1[C@@H](O)[C@@H](C)OC(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4+,5-,6+,7?/m1/s1
InChIKeyOEKPKBBXXDGXNB-MSPRSRQBSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
[(2R,3R,4R,5R,6S)-2,5-dihydroxy-4-methoxy-6-methyloxan-3-yl] acetate
CID 91857368
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
tris((6R)-2-(hydroxymethyl)-4-methoxy-6-methyloxane-3,5-diol);tris((6R)-2-(hydroxymethyl)-5-methoxy-6-methyloxane-3,4-diol);methane
CID 163806086
(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-4-[(2R,3S,4R,5R,6S)-5-amino-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91854013
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol?
The IUPAC name of (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol (CID 15558282) is (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol is CO[C@H]1[C@@H](O)[C@@H](C)OC(O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol?
The InChIKey is OEKPKBBXXDGXNB-MSPRSRQBSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4+,5-,6+,7?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol?
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol is sourced from PubChem (CID 15558282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).