(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol

C9H18O6 — CID 11608251

IUPAC(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
SMILESCOC1O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C9H18O6/c1-12-7-5(4-10)15-9(14-3)6(11)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1
InChIKeyVRNUDRWCZNJISG-VARJHODCSA-N
MW222.24 g/mol
LogP-1.26
Rot. Bonds4

About (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol

(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol (PubChem CID 11608251) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
PubChem CID11608251
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
SMILESCOC1O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C9H18O6/c1-12-7-5(4-10)15-9(14-3)6(11)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1
InChIKeyVRNUDRWCZNJISG-VARJHODCSA-N
XLogP-1.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(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
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2S,3S,5S)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 90346392
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol?
The IUPAC name of (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol (CID 11608251) is (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol.
What is the SMILES notation for (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol?
The canonical SMILES for (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol is COC1O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol?
The InChIKey is VRNUDRWCZNJISG-VARJHODCSA-N. The full InChI is InChI=1S/C9H18O6/c1-12-7-5(4-10)15-9(14-3)6(11)8(7)13-2/h5-11H,4H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol?
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol has a molecular weight of 222.24 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol is sourced from PubChem (CID 11608251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).