(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol

C6H15NO3 — CID 91521041

IUPAC(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol
SMILESC[C@@H](N)[C@@H](O)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H15NO3/c1-3(7)5(9)6(10)4(2)8/h3-6,8-10H,7H2,1-2H3/t3-,4-,5-,6+/m1/s1
InChIKeyCLRHTZSJECFLGM-KAZBKCHUSA-N
MW149.19 g/mol
LogP-1.56
Rot. Bonds3

About (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol

(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol (PubChem CID 91521041) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol
PubChem CID91521041
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol
SMILESC[C@@H](N)[C@@H](O)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H15NO3/c1-3(7)5(9)6(10)4(2)8/h3-6,8-10H,7H2,1-2H3/t3-,4-,5-,6+/m1/s1
InChIKeyCLRHTZSJECFLGM-KAZBKCHUSA-N
XLogP-1.56
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol?
The IUPAC name of (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol (CID 91521041) is (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol?
The canonical SMILES for (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol is C[C@@H](N)[C@@H](O)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol?
The InChIKey is CLRHTZSJECFLGM-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H15NO3/c1-3(7)5(9)6(10)4(2)8/h3-6,8-10H,7H2,1-2H3/t3-,4-,5-,6+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol?
(2R,3S,4R,5R)-5-aminohexane-2,3,4-triol has a molecular weight of 149.19 g/mol, XLogP of -1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-aminohexane-2,3,4-triol is sourced from PubChem (CID 91521041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).