(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C19H36O8 — CID 51692959

IUPAC(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[C@H](O)CC[C@@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)CC1(C)C
InChIInChI=1S/C19H36O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15+,16-,17+,18+/m0/s1
InChIKeyGQUCOZSVXCLPKQ-UXWOPBBMSA-N
MW392.49 g/mol
LogP-0.62
Rot. Bonds7

About (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 51692959) has the molecular formula C19H36O8 and a molecular weight of 392.49 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID51692959
Molecular FormulaC19H36O8
Molecular Weight392.49 g/mol
Exact Mass392.24
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[C@H](O)CC[C@@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)CC1(C)C
InChIInChI=1S/C19H36O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15+,16-,17+,18+/m0/s1
InChIKeyGQUCOZSVXCLPKQ-UXWOPBBMSA-N
XLogP-0.62
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 5-0.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)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,3R,4S,5S,6R)-2-[(2R)-4-[(1S,4S,6R)-4-hydroxy-6-(hydroxymethyl)-2,2-dimethylcyclohexyl]butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101426793
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol
CID 162865311
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 10848285
(2R,3R,4S,5R,6R)-2-[(5S)-5-hydroxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162843286
(2S,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl]oxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162922238
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S,3S)-3-hydroxyoxiran-2-yl]methoxy]oxane-3,4,5-triol
CID 171124876
(2R,3R,4S,5S,6R)-2-[(3R,27R)-3,27-dihydroxyoctacosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102318033
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 3-methylbutanoate
CID 163084945
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-propan-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol
CID 10426029

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 51692959) is (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C[C@H](O)CC[C@@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)CC1(C)C.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is GQUCOZSVXCLPKQ-UXWOPBBMSA-N. The full InChI is InChI=1S/C19H36O8/c1-10(21)4-5-13-11(6-12(22)7-19(13,2)3)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15+,16-,17+,18+/m0/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 392.49 g/mol, XLogP of -0.62, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxybutyl]-3,3-dimethylcyclohexyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 51692959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).