(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

C18H32O12 — CID 174151873

IUPAC(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
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OCC[C@@H](O)[C@@H]3O)C[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H32O12/c19-5-11-17(24)9(21)3-14(29-11)28-7-13-18(25)10(22)4-15(30-13)27-6-12-16(23)8(20)1-2-26-12/h8-25H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1
InChIKeyOHGIXDCRDKOPHG-ITCPBREPSA-N
MW440.44 g/mol
LogP-3.80
Rot. Bonds7

About (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

(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 (PubChem CID 174151873) has the molecular formula C18H32O12 and a molecular weight of 440.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174151873
Molecular FormulaC18H32O12
Molecular Weight440.44 g/mol
Exact Mass440.19
IUPAC Name(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
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OCC[C@@H](O)[C@@H]3O)C[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H32O12/c19-5-11-17(24)9(21)3-14(29-11)28-7-13-18(25)10(22)4-15(30-13)27-6-12-16(23)8(20)1-2-26-12/h8-25H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1
InChIKeyOHGIXDCRDKOPHG-ITCPBREPSA-N
XLogP-3.80
TPSA187.76 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500440.44
LogP ≤ 5-3.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

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Related Compounds

(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,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91856216
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(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
(2R,3S,4S,5S,6S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
CID 102216909
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
(3S,6R)-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 71098378
(3S,6S)-6-[(6-ethoxy-4-hydroxyoxan-2-yl)methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 177228824

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OCC[C@@H](O)[C@@H]3O)C[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is OHGIXDCRDKOPHG-ITCPBREPSA-N. The full InChI is InChI=1S/C18H32O12/c19-5-11-17(24)9(21)3-14(29-11)28-7-13-18(25)10(22)4-15(30-13)27-6-12-16(23)8(20)1-2-26-12/h8-25H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 440.44 g/mol, XLogP of -3.80, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174151873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).