(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol

C15H28O10 — CID 122383710

IUPAC(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol
SMILESCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](C(C)O)[C@@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C15H28O10/c1-3-4-22-14-11(21)13(8(18)7(5-16)23-14)25-15-10(20)9(19)12(24-15)6(2)17/h6-21H,3-5H2,1-2H3/t6?,7-,8-,9+,10+,11-,12-,13+,14-,15-/m1/s1
InChIKeyUWKBYXRNPIRGSV-FWGIZONCSA-N
MW368.38 g/mol
LogP-2.94
Rot. Bonds7

About (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol

(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol (PubChem CID 122383710) has the molecular formula C15H28O10 and a molecular weight of 368.38 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol
PubChem CID122383710
Molecular FormulaC15H28O10
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol
SMILESCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](C(C)O)[C@@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C15H28O10/c1-3-4-22-14-11(21)13(8(18)7(5-16)23-14)25-15-10(20)9(19)12(24-15)6(2)17/h6-21H,3-5H2,1-2H3/t6?,7-,8-,9+,10+,11-,12-,13+,14-,15-/m1/s1
InChIKeyUWKBYXRNPIRGSV-FWGIZONCSA-N
XLogP-2.94
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol with MolForge

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Related Compounds

(2S,3S,4S,5S,6R)-2-[[(2R,3R,5S,6S)-3,5-dihydroxy-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122522455
(2R,3S,4S,5S,6R)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-6-propoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167662677
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3-methylbutoxy)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134250585
(2R,3S,4S,5R,6R)-2-(3-aminopropoxy)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 122383720
2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-octoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101087591
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2R,3R,4S,5R,6S)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162846206
(2S,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 11466233
methyl 9-[(2S,3S,4S,5R,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate
CID 11203045
(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154452066
2-[[4-[4-[(5S)-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-ethoxy-3,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59701761

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol (CID 122383710) is (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol is CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](C(C)O)[C@@H](O)[C@@H]2O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol?
The InChIKey is UWKBYXRNPIRGSV-FWGIZONCSA-N. The full InChI is InChI=1S/C15H28O10/c1-3-4-22-14-11(21)13(8(18)7(5-16)23-14)25-15-10(20)9(19)12(24-15)6(2)17/h6-21H,3-5H2,1-2H3/t6?,7-,8-,9+,10+,11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol?
(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol has a molecular weight of 368.38 g/mol, XLogP of -2.94, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-propoxyoxane-3,5-diol is sourced from PubChem (CID 122383710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).