(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol

C17H32O8 — CID 90335931

IUPAC(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2C)[C@H](O)C1C
InChIInChI=1S/C17H32O8/c1-7(2)15-8(3)13(21)16(11(6-19)23-15)25-17-9(4)12(20)14(22)10(5-18)24-17/h7-22H,5-6H2,1-4H3/t8?,9?,10?,11?,12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyROLIUVUCFRMXCH-CGLHAUHSSA-N
MW364.44 g/mol
LogP-1.14
Rot. Bonds5

About (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol

(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol (PubChem CID 90335931) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
PubChem CID90335931
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2C)[C@H](O)C1C
InChIInChI=1S/C17H32O8/c1-7(2)15-8(3)13(21)16(11(6-19)23-15)25-17-9(4)12(20)14(22)10(5-18)24-17/h7-22H,5-6H2,1-4H3/t8?,9?,10?,11?,12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyROLIUVUCFRMXCH-CGLHAUHSSA-N
XLogP-1.14
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol 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,5R)-2-[(2S,3S,6S)-6-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122496168
5-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-ethyl-3-methyloxane-2,4-diol
CID 155455677
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 155466292
2-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]propanoic acid
CID 134518075
(2S,4S,5S)-2-[(2S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 90181512
(3R,4R,5R)-2-[(2R,3R,4S)-4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 166754094
(2S,3S,6S)-6-[(2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-3-[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 121329701
(2S)-5-amino-2-(aminomethyl)-6-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-propan-2-yloxolan-3-yl]oxyoxane-3,4-diol
CID 174021220
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(2S,3R,5S)-2-[[(3R,6S)-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 129200228
N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 154429827

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The IUPAC name of (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol (CID 90335931) is (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol.
What is the SMILES notation for (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The canonical SMILES for (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol is CC(C)[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2C)[C@H](O)C1C.
What is the InChIKey of (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The InChIKey is ROLIUVUCFRMXCH-CGLHAUHSSA-N. The full InChI is InChI=1S/C17H32O8/c1-7(2)15-8(3)13(21)16(11(6-19)23-15)25-17-9(4)12(20)14(22)10(5-18)24-17/h7-22H,5-6H2,1-4H3/t8?,9?,10?,11?,12-,13-,14-,15+,16-,17+/m1/s1.
What are the key properties of (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol has a molecular weight of 364.44 g/mol, XLogP of -1.14, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol is sourced from PubChem (CID 90335931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).