1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate

C24H38O24 — CID 141490884

IUPAC1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate
SMILESCCCC(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)OC(=O)C(O)CO
InChIInChI=1S/C24H38O24/c1-2-3-16(43-17(37)10(31)4-25)23(44-18(38)11(32)5-26,45-19(39)12(33)6-27)24(46-20(40)13(34)7-28,47-21(41)14(35)8-29)48-22(42)15(36)9-30/h10-16,25-36H,2-9H2,1H3
InChIKeyWOPZFEOZRCILBR-UHFFFAOYSA-N
MW710.54 g/mol
LogP-9.12
Rot. Bonds22

About 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate

1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate (PubChem CID 141490884) has the molecular formula C24H38O24 and a molecular weight of 710.54 g/mol. Its IUPAC name is 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate
PubChem CID141490884
Molecular FormulaC24H38O24
Molecular Weight710.54 g/mol
Exact Mass710.18
IUPAC Name1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate
SMILESCCCC(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)OC(=O)C(O)CO
InChIInChI=1S/C24H38O24/c1-2-3-16(43-17(37)10(31)4-25)23(44-18(38)11(32)5-26,45-19(39)12(33)6-27)24(46-20(40)13(34)7-28,47-21(41)14(35)8-29)48-22(42)15(36)9-30/h10-16,25-36H,2-9H2,1H3
InChIKeyWOPZFEOZRCILBR-UHFFFAOYSA-N
XLogP-9.12
TPSA400.56 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.54
LogP ≤ 5-9.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate 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

1,1,1-tris(2,3-dihydroxypropanoyloxy)pentan-2-yl 2,3-dihydroxypropanoate
CID 141084673
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
(1-hydroxy-2,2-dimethylhexan-3-yl) 2-methylpropanoate
CID 3020767
(2R)-1,2,5-trihydroxyoctane-3,4-dione
CID 123622046
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
tetradecyl 2,3-dihydroxypropanoate
CID 23624049
tridecyl 2,3-dihydroxypropanoate
CID 141488973
2,3-dihydroxy-1-propylsilylpropan-1-one
CID 173140077
ethyl 3-ethoxycarbonyloxy-2,2-dimethylhexanoate
CID 122517339
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate?
The IUPAC name of 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate (CID 141490884) is 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate.
What is the SMILES notation for 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate?
The canonical SMILES for 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate is CCCC(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)C(OC(=O)C(O)CO)(OC(=O)C(O)CO)OC(=O)C(O)CO.
What is the InChIKey of 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate?
The InChIKey is WOPZFEOZRCILBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O24/c1-2-3-16(43-17(37)10(31)4-25)23(44-18(38)11(32)5-26,45-19(39)12(33)6-27)24(46-20(40)13(34)7-28,47-21(41)14(35)8-29)48-22(42)15(36)9-30/h10-16,25-36H,2-9H2,1H3.
What are the key properties of 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate?
1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate has a molecular weight of 710.54 g/mol, XLogP of -9.12, 22 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentakis(2,3-dihydroxypropanoyloxy)hexan-3-yl 2,3-dihydroxypropanoate is sourced from PubChem (CID 141490884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).