(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol

C10H20O6 — CID 163679264

IUPAC(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(C)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O6/c1-3-5(2)15-10-9(14)8(13)7(12)6(4-11)16-10/h5-14H,3-4H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1
InChIKeySPMHDJVTXLHOTJ-XBWNETJSSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds4

About (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 163679264) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID163679264
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(C)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O6/c1-3-5(2)15-10-9(14)8(13)7(12)6(4-11)16-10/h5-14H,3-4H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1
InChIKeySPMHDJVTXLHOTJ-XBWNETJSSA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(3S,4S)-2-(hydroxymethyl)-6-(1-hydroxypropan-2-yloxy)oxane-3,4,5-triol
CID 163764243
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18605016
(3R,4S,5S,6R)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54138308
(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70889384
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-nonan-2-yloxyoxane-3,4,5-triol
CID 20813434
(2S)-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 102024646
(2S)-2-[(4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 135130488

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 163679264) is (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCC(C)O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O.
What is the InChIKey of (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is SPMHDJVTXLHOTJ-XBWNETJSSA-N. The full InChI is InChI=1S/C10H20O6/c1-3-5(2)15-10-9(14)8(13)7(12)6(4-11)16-10/h5-14H,3-4H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1.
What are the key properties of (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 163679264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).