(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol

C14H32N2O5 — CID 169110139

IUPAC(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol
SMILESNCCN(CCCCC(O)CO)C[C@H](O)CCC(O)CO
InChIInChI=1S/C14H32N2O5/c15-6-8-16(7-2-1-3-13(20)10-17)9-12(19)4-5-14(21)11-18/h12-14,17-21H,1-11,15H2/t12-,13?,14?/m1/s1
InChIKeyXFFBJTOVIHGLLD-IYXRBSQSSA-N
MW308.42 g/mol
LogP-1.74
Rot. Bonds14

About (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol

(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol (PubChem CID 169110139) has the molecular formula C14H32N2O5 and a molecular weight of 308.42 g/mol. Its IUPAC name is (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol.

Molecular Properties

Compound Name(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol
PubChem CID169110139
Molecular FormulaC14H32N2O5
Molecular Weight308.42 g/mol
Exact Mass308.23
IUPAC Name(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol
SMILESNCCN(CCCCC(O)CO)C[C@H](O)CCC(O)CO
InChIInChI=1S/C14H32N2O5/c15-6-8-16(7-2-1-3-13(20)10-17)9-12(19)4-5-14(21)11-18/h12-14,17-21H,1-11,15H2/t12-,13?,14?/m1/s1
InChIKeyXFFBJTOVIHGLLD-IYXRBSQSSA-N
XLogP-1.74
TPSA130.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 5-1.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol?
The IUPAC name of (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol (CID 169110139) is (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol.
What is the SMILES notation for (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol?
The canonical SMILES for (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol is NCCN(CCCCC(O)CO)C[C@H](O)CCC(O)CO.
What is the InChIKey of (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol?
The InChIKey is XFFBJTOVIHGLLD-IYXRBSQSSA-N. The full InChI is InChI=1S/C14H32N2O5/c15-6-8-16(7-2-1-3-13(20)10-17)9-12(19)4-5-14(21)11-18/h12-14,17-21H,1-11,15H2/t12-,13?,14?/m1/s1.
What are the key properties of (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol?
(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol has a molecular weight of 308.42 g/mol, XLogP of -1.74, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol is sourced from PubChem (CID 169110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).