(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol

C11H22O6 — CID 100916135

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol
SMILESCC[C@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1
InChIKeyDMALNKYCYUUBGC-OVHRRVLLSA-N
MW250.29 g/mol
LogP-1.15
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol (PubChem CID 100916135) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol
PubChem CID100916135
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol
SMILESCC[C@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1
InChIKeyDMALNKYCYUUBGC-OVHRRVLLSA-N
XLogP-1.15
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol (CID 100916135) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol is CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol?
The InChIKey is DMALNKYCYUUBGC-OVHRRVLLSA-N. The full InChI is InChI=1S/C11H22O6/c1-3-6(2)5-16-11-10(15)9(14)8(13)7(4-12)17-11/h6-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol has a molecular weight of 250.29 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol is sourced from PubChem (CID 100916135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).