(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol

C18H38O13 — CID 3084634

IUPAC(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
SMILESOC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2/t13-,14-,15-,16-,17-,18+/m0/s1
InChIKeyFWTZRWTUPSQZOG-UGDFAFBOSA-N
MW462.49 g/mol
LogP-4.78
Rot. Bonds22

About (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol

(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 3084634) has the molecular formula C18H38O13 and a molecular weight of 462.49 g/mol. Its IUPAC name is (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
PubChem CID3084634
Molecular FormulaC18H38O13
Molecular Weight462.49 g/mol
Exact Mass462.23
IUPAC Name(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
SMILESOC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2/t13-,14-,15-,16-,17-,18+/m0/s1
InChIKeyFWTZRWTUPSQZOG-UGDFAFBOSA-N
XLogP-4.78
TPSA207.99 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500462.49
LogP ≤ 5-4.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol (CID 3084634) is (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol is OC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@H](O)COC[C@@H](O)COC[C@@H](O)CO.
What is the InChIKey of (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The InChIKey is FWTZRWTUPSQZOG-UGDFAFBOSA-N. The full InChI is InChI=1S/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2/t13-,14-,15-,16-,17-,18+/m0/s1.
What are the key properties of (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
(2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 462.49 g/mol, XLogP of -4.78, 22 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S)-3-[(2S)-3-[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 3084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).