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

C12H22O9 — CID 170012214

IUPAC(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c13-2-7-10(16)5(14)1-9(21-7)20-4-8-12(18)11(17)6(15)3-19-8/h5-18H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12-/m1/s1
InChIKeyGHJJUKNVKLKRKI-XRVFDCEDSA-N
MW310.30 g/mol
LogP-3.69
Rot. Bonds4

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

(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol (PubChem CID 170012214) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
PubChem CID170012214
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c13-2-7-10(16)5(14)1-9(21-7)20-4-8-12(18)11(17)6(15)3-19-8/h5-18H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12-/m1/s1
InChIKeyGHJJUKNVKLKRKI-XRVFDCEDSA-N
XLogP-3.69
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 ≤ 5-3.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59163159
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 156618751
(2S,5R)-2-[(3S,6R)-6-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160943943
(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,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
(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91080533
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The IUPAC name of (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) is (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol is OC[C@H]1O[C@H](OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
The InChIKey is GHJJUKNVKLKRKI-XRVFDCEDSA-N. The full InChI is InChI=1S/C12H22O9/c13-2-7-10(16)5(14)1-9(21-7)20-4-8-12(18)11(17)6(15)3-19-8/h5-18H,1-4H2/t5-,6+,7-,8-,9+,10+,11-,12-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol?
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol has a molecular weight of 310.30 g/mol, XLogP of -3.69, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol is sourced from PubChem (CID 170012214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).