6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol

C40H84N2O19 — CID 171850612

IUPAC6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
SMILESCNCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO
InChIInChI=1S/C40H84N2O19/c1-41-7-13-53-17-21-57-24-26-59-28-30-61-32-31-60-29-27-58-25-23-56-20-16-52-12-4-2-3-11-51-15-19-55-22-18-54-14-8-42(33-37(47)39(49)35(45)5-9-43)34-38(48)40(50)36(46)6-10-44/h35-41,43-50H,2-34H2,1H3
InChIKeyFRODKZVKDOAKHH-UHFFFAOYSA-N
MW897.11 g/mol
LogP-3.21
Rot. Bonds51

About 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol

6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol (PubChem CID 171850612) has the molecular formula C40H84N2O19 and a molecular weight of 897.11 g/mol. Its IUPAC name is 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol.

Molecular Properties

Compound Name6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
PubChem CID171850612
Molecular FormulaC40H84N2O19
Molecular Weight897.11 g/mol
Exact Mass896.57
IUPAC Name6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
SMILESCNCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO
InChIInChI=1S/C40H84N2O19/c1-41-7-13-53-17-21-57-24-26-59-28-30-61-32-31-60-29-27-58-25-23-56-20-16-52-12-4-2-3-11-51-15-19-55-22-18-54-14-8-42(33-37(47)39(49)35(45)5-9-43)34-38(48)40(50)36(46)6-10-44/h35-41,43-50H,2-34H2,1H3
InChIKeyFRODKZVKDOAKHH-UHFFFAOYSA-N
XLogP-3.21
TPSA278.64 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds51
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.11
LogP ≤ 5-3.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol with MolForge

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Related Compounds

6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol
CID 171850614
(2R,3R,4R,5S)-6-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,2,3,4,5-pentol
CID 171850569
2-[[2-[2-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]amino]-N-methylacetamide;methanol
CID 171850616
3-[2-[2-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 171541647
bis(2-(dimethylamino)-N-methyl-N-(2-oxoethyl)acetamide);fermium;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol;2-[methyl(oxomethyl)amino]acetaldehyde
CID 176959915
1-[(2-hydroxy-3-methyltridecyl)-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]amino]tetradecan-2-ol
CID 58527562
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
CID 134581965
N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide
CID 177276127
(2S)-2-amino-7-[3-[2-[3-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]propanoylamino]-N-(3-methylbutan-2-yl)heptanamide
CID 167299580
N,N-bis[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 167299366
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
CID 171850451
CID 175631387
CID 175631387

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The IUPAC name of 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol (CID 171850612) is 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol.
What is the SMILES notation for 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The canonical SMILES for 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol is CNCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.
What is the InChIKey of 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
The InChIKey is FRODKZVKDOAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H84N2O19/c1-41-7-13-53-17-21-57-24-26-59-28-30-61-32-31-60-29-27-58-25-23-56-20-16-52-12-4-2-3-11-51-15-19-55-22-18-54-14-8-42(33-37(47)39(49)35(45)5-9-43)34-38(48)40(50)36(46)6-10-44/h35-41,43-50H,2-34H2,1H3.
What are the key properties of 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol?
6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol has a molecular weight of 897.11 g/mol, XLogP of -3.21, 51 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol is sourced from PubChem (CID 171850612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).