(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol

C15H24O9 — CID 163033671

IUPAC(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H24O9/c16-4-7-10(18)11(19)12(20)14(22-7)23-13-9-6(1-2-21-13)3-8-15(9,5-17)24-8/h6-14,16-20H,1-5H2/t6-,7-,8-,9+,10-,11+,12-,13-,14+,15-/m0/s1
InChIKeyBESOZFUJSSJTTH-GVXOYALVSA-N
MW348.35 g/mol
LogP-2.68
Rot. Bonds4

About (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol (PubChem CID 163033671) has the molecular formula C15H24O9 and a molecular weight of 348.35 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol
PubChem CID163033671
Molecular FormulaC15H24O9
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H24O9/c16-4-7-10(18)11(19)12(20)14(22-7)23-13-9-6(1-2-21-13)3-8-15(9,5-17)24-8/h6-14,16-20H,1-5H2/t6-,7-,8-,9+,10-,11+,12-,13-,14+,15-/m0/s1
InChIKeyBESOZFUJSSJTTH-GVXOYALVSA-N
XLogP-2.68
TPSA141.37 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]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

(2S,3R,4S,5S,6R)-2-[[(1S,2R,4R,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162980790
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90658168
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91859797
2-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162914575
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10462067

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol (CID 163033671) is (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol is OC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol?
The InChIKey is BESOZFUJSSJTTH-GVXOYALVSA-N. The full InChI is InChI=1S/C15H24O9/c16-4-7-10(18)11(19)12(20)14(22-7)23-13-9-6(1-2-21-13)3-8-15(9,5-17)24-8/h6-14,16-20H,1-5H2/t6-,7-,8-,9+,10-,11+,12-,13-,14+,15-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol has a molecular weight of 348.35 g/mol, XLogP of -2.68, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 163033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).