3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol

C28H58O19 — CID 137404860

IUPAC3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
SMILESOCC(O)COCC(COCC(O)CO)(COCC(O)CO)COCC(COCC(O)CO)(COCC(O)CO)COCC(O)CO
InChIInChI=1S/C28H58O19/c29-1-21(35)7-41-13-27(14-42-8-22(36)2-30,15-43-9-23(37)3-31)19-47-20-28(16-44-10-24(38)4-32,17-45-11-25(39)5-33)18-46-12-26(40)6-34/h21-26,29-40H,1-20H2
InChIKeyIYGZVZJGUDQELL-UHFFFAOYSA-N
MW698.75 g/mol
LogP-6.81
Rot. Bonds34

About 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol

3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol (PubChem CID 137404860) has the molecular formula C28H58O19 and a molecular weight of 698.75 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
PubChem CID137404860
Molecular FormulaC28H58O19
Molecular Weight698.75 g/mol
Exact Mass698.36
IUPAC Name3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
SMILESOCC(O)COCC(COCC(O)CO)(COCC(O)CO)COCC(COCC(O)CO)(COCC(O)CO)COCC(O)CO
InChIInChI=1S/C28H58O19/c29-1-21(35)7-41-13-27(14-42-8-22(36)2-30,15-43-9-23(37)3-31)19-47-20-28(16-44-10-24(38)4-32,17-45-11-25(39)5-33)18-46-12-26(40)6-34/h21-26,29-40H,1-20H2
InChIKeyIYGZVZJGUDQELL-UHFFFAOYSA-N
XLogP-6.81
TPSA307.37 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500698.75
LogP ≤ 5-6.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol with MolForge

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Related Compounds

3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
[2-(2,3-dihydroxypropoxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 87773582
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
1-[bis(2-hydroxyethyl)amino]-3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 129270703
3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
CID 56623238
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
[3-[3-[3-(diethylazaniumyl)-2-hydroxypropoxy]-2-[[3-[3-(diethylazaniumyl)-2-hydroxypropoxy]-2,2-bis[[3-(diethylazaniumyl)-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-(diethylazaniumyl)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-diethylazanium
CID 140687747

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol (CID 137404860) is 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol is OCC(O)COCC(COCC(O)CO)(COCC(O)CO)COCC(COCC(O)CO)(COCC(O)CO)COCC(O)CO.
What is the InChIKey of 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol?
The InChIKey is IYGZVZJGUDQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O19/c29-1-21(35)7-41-13-27(14-42-8-22(36)2-30,15-43-9-23(37)3-31)19-47-20-28(16-44-10-24(38)4-32,17-45-11-25(39)5-33)18-46-12-26(40)6-34/h21-26,29-40H,1-20H2.
What are the key properties of 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol?
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol has a molecular weight of 698.75 g/mol, XLogP of -6.81, 34 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol is sourced from PubChem (CID 137404860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).