(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol

C12H22O6 — CID 71154273

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol
SMILESCC1CC[C@H](OC2C[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1
InChIInChI=1S/C12H22O6/c1-7-2-3-8(6-16-7)17-11-4-9(14)12(15)10(5-13)18-11/h7-15H,2-6H2,1H3/t7?,8-,9+,10+,11?,12-/m0/s1
InChIKeyMFCSBDBFYGIVCC-PGPCZGGOSA-N
MW262.30 g/mol
LogP-0.60
Rot. Bonds3

About (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol (PubChem CID 71154273) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol
PubChem CID71154273
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol
SMILESCC1CC[C@H](OC2C[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1
InChIInChI=1S/C12H22O6/c1-7-2-3-8(6-16-7)17-11-4-9(14)12(15)10(5-13)18-11/h7-15H,2-6H2,1H3/t7?,8-,9+,10+,11?,12-/m0/s1
InChIKeyMFCSBDBFYGIVCC-PGPCZGGOSA-N
XLogP-0.60
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(2R,3R,4S,5S,6R)-2-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91859061
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 170012214
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
(2S,3R,4R,5S,6R)-5-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 89002434
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol (CID 71154273) is (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol is CC1CC[C@H](OC2C[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol?
The InChIKey is MFCSBDBFYGIVCC-PGPCZGGOSA-N. The full InChI is InChI=1S/C12H22O6/c1-7-2-3-8(6-16-7)17-11-4-9(14)12(15)10(5-13)18-11/h7-15H,2-6H2,1H3/t7?,8-,9+,10+,11?,12-/m0/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol has a molecular weight of 262.30 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 71154273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).