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

C13H24O10 — CID 91080533

IUPAC(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1O[C@H](CO[C@H]2C(O)COC(CO)[C@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O10/c14-1-6-11(19)13(5(16)3-21-6)22-4-8-10(18)12(20)9(17)7(2-15)23-8/h5-20H,1-4H2/t5?,6?,7?,8-,9-,10?,11-,12-,13+/m1/s1
InChIKeyTVMYMZNREYGZDQ-GSWIQJBWSA-N
MW340.33 g/mol
LogP-4.67
Rot. Bonds5

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

(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91080533) has the molecular formula C13H24O10 and a molecular weight of 340.33 g/mol. Its IUPAC name is (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID91080533
Molecular FormulaC13H24O10
Molecular Weight340.33 g/mol
Exact Mass340.14
IUPAC Name(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1O[C@H](CO[C@H]2C(O)COC(CO)[C@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O10/c14-1-6-11(19)13(5(16)3-21-6)22-4-8-10(18)12(20)9(17)7(2-15)23-8/h5-20H,1-4H2/t5?,6?,7?,8-,9-,10?,11-,12-,13+/m1/s1
InChIKeyTVMYMZNREYGZDQ-GSWIQJBWSA-N
XLogP-4.67
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 5-4.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(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
(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59163159
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
2-[[6-[(3-ethyl-4,5-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 20678344
(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59965356
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(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
2-(hydroxymethyl)-4-prop-2-ynoxyoxane-3,5-diol
CID 149018534
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171933346

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 91080533) is (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1O[C@H](CO[C@H]2C(O)COC(CO)[C@H]2O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is TVMYMZNREYGZDQ-GSWIQJBWSA-N. The full InChI is InChI=1S/C13H24O10/c14-1-6-11(19)13(5(16)3-21-6)22-4-8-10(18)12(20)9(17)7(2-15)23-8/h5-20H,1-4H2/t5?,6?,7?,8-,9-,10?,11-,12-,13+/m1/s1.
What are the key properties of (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 340.33 g/mol, XLogP of -4.67, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-[[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91080533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).