5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol

C23H44O10 — CID 71090534

IUPAC5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol
SMILESCCC(CC)C1OC(CO)C(OC2OC(CO)C(OC(C)(CC)CC)C(O)C2O)C(O)C1O
InChIInChI=1S/C23H44O10/c1-6-12(7-2)19-15(26)16(27)20(13(10-24)30-19)32-22-18(29)17(28)21(14(11-25)31-22)33-23(5,8-3)9-4/h12-22,24-29H,6-11H2,1-5H3
InChIKeyPHLMUWNWSRTMFZ-UHFFFAOYSA-N
MW480.60 g/mol
LogP-0.31
Rot. Bonds11

About 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol

5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol (PubChem CID 71090534) has the molecular formula C23H44O10 and a molecular weight of 480.60 g/mol. Its IUPAC name is 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol.

Molecular Properties

Compound Name5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol
PubChem CID71090534
Molecular FormulaC23H44O10
Molecular Weight480.60 g/mol
Exact Mass480.29
IUPAC Name5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol
SMILESCCC(CC)C1OC(CO)C(OC2OC(CO)C(OC(C)(CC)CC)C(O)C2O)C(O)C1O
InChIInChI=1S/C23H44O10/c1-6-12(7-2)19-15(26)16(27)20(13(10-24)30-19)32-22-18(29)17(28)21(14(11-25)31-22)33-23(5,8-3)9-4/h12-22,24-29H,6-11H2,1-5H3
InChIKeyPHLMUWNWSRTMFZ-UHFFFAOYSA-N
XLogP-0.31
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 5-0.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol with MolForge

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Related Compounds

2-[2,3-dihydroxy-6-(hydroxymethyl)-4-(3-methylpentan-3-yloxy)cyclohexyl]oxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxane-3,4-diol
CID 130369496
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
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol;propane
CID 145016589
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylbutan-2-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 130316725
2-[6-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2-methylpropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 76694994
(2R,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-6-[3-[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-[[(3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-hydroxymethyl]-1,3-dihydroxy-2-methoxypropyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140643662
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562
ethanol;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 68787195
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170688493
(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 156615824

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol?
The IUPAC name of 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol (CID 71090534) is 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol.
What is the SMILES notation for 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol?
The canonical SMILES for 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol is CCC(CC)C1OC(CO)C(OC2OC(CO)C(OC(C)(CC)CC)C(O)C2O)C(O)C1O.
What is the InChIKey of 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol?
The InChIKey is PHLMUWNWSRTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O10/c1-6-12(7-2)19-15(26)16(27)20(13(10-24)30-19)32-22-18(29)17(28)21(14(11-25)31-22)33-23(5,8-3)9-4/h12-22,24-29H,6-11H2,1-5H3.
What are the key properties of 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol?
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol has a molecular weight of 480.60 g/mol, XLogP of -0.31, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-methylpentan-3-yloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-2-pentan-3-yloxane-3,4-diol is sourced from PubChem (CID 71090534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).