6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol

C26H50O7 — CID 90760576

IUPAC6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol
SMILESCCC(O)(CC)C1C(CO)OC(OC(CC)(CC)C2C(CO)OC(O)C(C)C2C)C(C)C1C
InChIInChI=1S/C26H50O7/c1-9-25(30,10-2)21-16(6)18(8)24(32-19(21)13-27)33-26(11-3,12-4)22-15(5)17(7)23(29)31-20(22)14-28/h15-24,27-30H,9-14H2,1-8H3
InChIKeyMXBFQHCAXYUMPM-UHFFFAOYSA-N
MW474.68 g/mol
LogP3.32
Rot. Bonds10

About 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol

6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol (PubChem CID 90760576) has the molecular formula C26H50O7 and a molecular weight of 474.68 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol
PubChem CID90760576
Molecular FormulaC26H50O7
Molecular Weight474.68 g/mol
Exact Mass474.36
IUPAC Name6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol
SMILESCCC(O)(CC)C1C(CO)OC(OC(CC)(CC)C2C(CO)OC(O)C(C)C2C)C(C)C1C
InChIInChI=1S/C26H50O7/c1-9-25(30,10-2)21-16(6)18(8)24(32-19(21)13-27)33-26(11-3,12-4)22-15(5)17(7)23(29)31-20(22)14-28/h15-24,27-30H,9-14H2,1-8H3
InChIKeyMXBFQHCAXYUMPM-UHFFFAOYSA-N
XLogP3.32
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-3-[1-ethyl-1-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxypropyl]-4,5-dimethyl-6-propoxyoxane
CID 123598850
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
CID 129082603
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
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,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol
CID 101088444
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
actinium;(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063588

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol?
The IUPAC name of 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol (CID 90760576) is 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol.
What is the SMILES notation for 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol?
The canonical SMILES for 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol is CCC(O)(CC)C1C(CO)OC(OC(CC)(CC)C2C(CO)OC(O)C(C)C2C)C(C)C1C.
What is the InChIKey of 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol?
The InChIKey is MXBFQHCAXYUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O7/c1-9-25(30,10-2)21-16(6)18(8)24(32-19(21)13-27)33-26(11-3,12-4)22-15(5)17(7)23(29)31-20(22)14-28/h15-24,27-30H,9-14H2,1-8H3.
What are the key properties of 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol?
6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol has a molecular weight of 474.68 g/mol, XLogP of 3.32, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-[3-[6-(hydroxymethyl)-5-(3-hydroxypentan-3-yl)-3,4-dimethyloxan-2-yl]oxypentan-3-yl]-3,4-dimethyloxan-2-ol is sourced from PubChem (CID 90760576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).