(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C12H22O9 — CID 123765086

IUPAC(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c13-3-7-11(17)5(15)1-9(19-7)21-10-2-6(16)12(18)8(4-14)20-10/h5-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+/m1/s1
InChIKeyMRPCHTRIPMFJBJ-FMHBTRDDSA-N
MW310.30 g/mol
LogP-3.34
Rot. Bonds4

About (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123765086) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID123765086
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c13-3-7-11(17)5(15)1-9(19-7)21-10-2-6(16)12(18)8(4-14)20-10/h5-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+/m1/s1
InChIKeyMRPCHTRIPMFJBJ-FMHBTRDDSA-N
XLogP-3.34
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 5-3.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(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,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
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
(2R,3S,4R)-2-(hydroxymethyl)-6-[(3S)-6-methyloxan-3-yl]oxyoxane-3,4-diol
CID 71154273
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(3R,4R,6S)-3-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
CID 176877930
ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (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) is (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is MRPCHTRIPMFJBJ-FMHBTRDDSA-N. The full InChI is InChI=1S/C12H22O9/c13-3-7-11(17)5(15)1-9(19-7)21-10-2-6(16)12(18)8(4-14)20-10/h5-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+/m1/s1.
What are the key properties of (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 310.30 g/mol, XLogP of -3.34, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123765086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).