(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol

C10H20O5 — CID 139318361

IUPAC(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
SMILESCCCO[C@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@@H]1CO
InChIInChI=1S/C10H20O5/c1-3-4-14-10-7(5-11)15-6(2)8(12)9(10)13/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyIHZGWBMADMKYGG-HOTMZDKISA-N
MW220.26 g/mol
LogP-0.72
Rot. Bonds4

About (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol (PubChem CID 139318361) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
PubChem CID139318361
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
SMILESCCCO[C@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@@H]1CO
InChIInChI=1S/C10H20O5/c1-3-4-14-10-7(5-11)15-6(2)8(12)9(10)13/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyIHZGWBMADMKYGG-HOTMZDKISA-N
XLogP-0.72
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
CID 121254748
(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
(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
CID 134571167
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,5S)-5-ethoxy-2,6-bis(hydroxymethyl)oxane-3,4-diol
CID 174113767
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol (CID 139318361) is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol is CCCO[C@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@@H]1CO.
What is the InChIKey of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol?
The InChIKey is IHZGWBMADMKYGG-HOTMZDKISA-N. The full InChI is InChI=1S/C10H20O5/c1-3-4-14-10-7(5-11)15-6(2)8(12)9(10)13/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol?
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol is sourced from PubChem (CID 139318361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).