(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H20O5 — CID 44538637

IUPAC(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCC(C)OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O5/c1-3-6(2)14-5-8-10(13)9(12)7(4-11)15-8/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9-,10-/m1/s1
InChIKeyKTBQOVSSDJRMBT-BHRXDNSCSA-N
MW220.26 g/mol
LogP-0.72
Rot. Bonds5

About (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44538637) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44538637
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCC(C)OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O5/c1-3-6(2)14-5-8-10(13)9(12)7(4-11)15-8/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9-,10-/m1/s1
InChIKeyKTBQOVSSDJRMBT-BHRXDNSCSA-N
XLogP-0.72
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(2S,3S,4S,5R)-2-(ethoxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44538123
6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol
CID 166946963
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl 2-methylpropanoate
CID 44538748
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 44538637) is (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol is CCC(C)OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is KTBQOVSSDJRMBT-BHRXDNSCSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-6(2)14-5-8-10(13)9(12)7(4-11)15-8/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9-,10-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(butan-2-yloxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44538637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).