(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol

C32H64O19 — CID 157104198

IUPAC(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
SMILESCO[C@@H]1C(C)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@H]1C(CO)O[C@H](C)C(O)[C@H]1O
InChIInChI=1S/3C8H16O5.C8H16O4/c3*1-4-6(10)7(11)8(12-2)5(3-9)13-4;1-4-6(9)7(10)8(11-3)5(2)12-4/h3*4-11H,3H2,1-2H3;4-10H,1-3H3/t4-,5?,6?,7-,8+;3*4-,5?,6?,7-,8-/m1111/s1
InChIKeyAGCQGMHWJNEZQK-JDZDXKJESA-N
MW752.84 g/mol
LogP-4.96
Rot. Bonds7

About (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol

(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol (PubChem CID 157104198) has the molecular formula C32H64O19 and a molecular weight of 752.84 g/mol. Its IUPAC name is (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
PubChem CID157104198
Molecular FormulaC32H64O19
Molecular Weight752.84 g/mol
Exact Mass752.40
IUPAC Name(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
SMILESCO[C@@H]1C(C)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@H]1C(CO)O[C@H](C)C(O)[C@H]1O
InChIInChI=1S/3C8H16O5.C8H16O4/c3*1-4-6(10)7(11)8(12-2)5(3-9)13-4;1-4-6(9)7(10)8(11-3)5(2)12-4/h3*4-11H,3H2,1-2H3;4-10H,1-3H3/t4-,5?,6?,7-,8+;3*4-,5?,6?,7-,8-/m1111/s1
InChIKeyAGCQGMHWJNEZQK-JDZDXKJESA-N
XLogP-4.96
TPSA296.37 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.84
LogP ≤ 5-4.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol with MolForge

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Related Compounds

(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,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,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
CID 134571167
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235

Frequently Asked Questions

What is the IUPAC name of (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol?
The IUPAC name of (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol (CID 157104198) is (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol.
What is the SMILES notation for (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol?
The canonical SMILES for (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol is CO[C@@H]1C(C)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@@H]1C(CO)O[C@H](C)C(O)[C@H]1O.CO[C@H]1C(CO)O[C@H](C)C(O)[C@H]1O.
What is the InChIKey of (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol?
The InChIKey is AGCQGMHWJNEZQK-JDZDXKJESA-N. The full InChI is InChI=1S/3C8H16O5.C8H16O4/c3*1-4-6(10)7(11)8(12-2)5(3-9)13-4;1-4-6(9)7(10)8(11-3)5(2)12-4/h3*4-11H,3H2,1-2H3;4-10H,1-3H3/t4-,5?,6?,7-,8+;3*4-,5?,6?,7-,8-/m1111/s1.
What are the key properties of (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol?
(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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol has a molecular weight of 752.84 g/mol, XLogP of -4.96, 7 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 157104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).