2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C27H61N3O15Si — CID 156729819

IUPAC2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC[Si](OCCN(CCO)C(CO)(CO)CO)(OCCN(CCO)C(CO)(CO)CO)OCCN(CCO)C(CO)(CO)CO
InChIInChI=1S/C27H61N3O15Si/c1-2-15-46(43-12-6-28(3-9-31)25(16-34,17-35)18-36,44-13-7-29(4-10-32)26(19-37,20-38)21-39)45-14-8-30(5-11-33)27(22-40,23-41)24-42/h31-42H,2-24H2,1H3
InChIKeyDPDRMLQSZQCMQE-UHFFFAOYSA-N
MW695.88 g/mol
LogP-6.58
Rot. Bonds32

About 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 156729819) has the molecular formula C27H61N3O15Si and a molecular weight of 695.88 g/mol. Its IUPAC name is 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID156729819
Molecular FormulaC27H61N3O15Si
Molecular Weight695.88 g/mol
Exact Mass695.39
IUPAC Name2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC[Si](OCCN(CCO)C(CO)(CO)CO)(OCCN(CCO)C(CO)(CO)CO)OCCN(CCO)C(CO)(CO)CO
InChIInChI=1S/C27H61N3O15Si/c1-2-15-46(43-12-6-28(3-9-31)25(16-34,17-35)18-36,44-13-7-29(4-10-32)26(19-37,20-38)21-39)45-14-8-30(5-11-33)27(22-40,23-41)24-42/h31-42H,2-24H2,1H3
InChIKeyDPDRMLQSZQCMQE-UHFFFAOYSA-N
XLogP-6.58
TPSA280.17 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500695.88
LogP ≤ 5-6.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 158594075
2-[ethoxy-(2-hydroxyethoxy)-propylsilyl]oxyethanol;methanamine
CID 87723568
2-[1-[diethoxy(propyl)silyl]oxyethyl-(2-hydroxyethyl)amino]ethanol
CID 87238908
3-tripropoxysilylpropan-1-ol
CID 19080799
4-tripropoxysilylbutan-1-ol
CID 18780457
propan-1-ol;trimethoxy(propyl)silane
CID 87515332
2-[19-(2-aminoethyl)heptatriacontan-19-yl-(2-hydroxyethyl)amino]ethanol
CID 87653740
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 126494722
2-[2-hydroxyethyl-[(3-triethoxysilylpropylamino)methyl]amino]ethanol
CID 59782810

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 156729819) is 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol is CCC[Si](OCCN(CCO)C(CO)(CO)CO)(OCCN(CCO)C(CO)(CO)CO)OCCN(CCO)C(CO)(CO)CO.
What is the InChIKey of 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is DPDRMLQSZQCMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61N3O15Si/c1-2-15-46(43-12-6-28(3-9-31)25(16-34,17-35)18-36,44-13-7-29(4-10-32)26(19-37,20-38)21-39)45-14-8-30(5-11-33)27(22-40,23-41)24-42/h31-42H,2-24H2,1H3.
What are the key properties of 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 695.88 g/mol, XLogP of -6.58, 32 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 156729819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).