2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

C17H32O9 — CID 162704967

IUPAC2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
SMILESCC[C@H](C)[C@H](C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H32O9/c1-5-7(2)8(3)24-17-14(21)12(19)10(26-17)6-23-16-15(22)13(20)11(18)9(4)25-16/h7-22H,5-6H2,1-4H3/t7-,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?/m0/s1
InChIKeyFWRWRNDIRHPPRE-ZYXXRGNTSA-N
MW380.43 g/mol
LogP-1.27
Rot. Bonds7

About 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (PubChem CID 162704967) has the molecular formula C17H32O9 and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
PubChem CID162704967
Molecular FormulaC17H32O9
Molecular Weight380.43 g/mol
Exact Mass380.20
IUPAC Name2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
SMILESCC[C@H](C)[C@H](C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H32O9/c1-5-7(2)8(3)24-17-14(21)12(19)10(26-17)6-23-16-15(22)13(20)11(18)9(4)25-16/h7-22H,5-6H2,1-4H3/t7-,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?/m0/s1
InChIKeyFWRWRNDIRHPPRE-ZYXXRGNTSA-N
XLogP-1.27
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;methane;2-methyl-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxane-3,4,5-triol
CID 159395311
(2R)-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,4,5-triol
CID 171051882
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162940353
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54429868
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91861088
(2R,3R,5R)-2-[[(3R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58183858
(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91860000
(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
CID 24859094
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 90701125
(2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59038721

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (CID 162704967) is 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is CC[C@H](C)[C@H](C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O.
What is the InChIKey of 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?
The InChIKey is FWRWRNDIRHPPRE-ZYXXRGNTSA-N. The full InChI is InChI=1S/C17H32O9/c1-5-7(2)8(3)24-17-14(21)12(19)10(26-17)6-23-16-15(22)13(20)11(18)9(4)25-16/h7-22H,5-6H2,1-4H3/t7-,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?/m0/s1.
What are the key properties of 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?
2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol has a molecular weight of 380.43 g/mol, XLogP of -1.27, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 162704967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).