(2R,3S,4R)-2-aminohexane-1,3,4-triol

C6H15NO3 — CID 89364894

IUPAC(2R,3S,4R)-2-aminohexane-1,3,4-triol
SMILESCC[C@@H](O)[C@@H](O)[C@H](N)CO
InChIInChI=1S/C6H15NO3/c1-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3,7H2,1H3/t4-,5-,6+/m1/s1
InChIKeyULVFNIHYRKSRPH-PBXRRBTRSA-N
MW149.19 g/mol
LogP-1.56
Rot. Bonds4

About (2R,3S,4R)-2-aminohexane-1,3,4-triol

(2R,3S,4R)-2-aminohexane-1,3,4-triol (PubChem CID 89364894) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is (2R,3S,4R)-2-aminohexane-1,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R)-2-aminohexane-1,3,4-triol
PubChem CID89364894
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name(2R,3S,4R)-2-aminohexane-1,3,4-triol
SMILESCC[C@@H](O)[C@@H](O)[C@H](N)CO
InChIInChI=1S/C6H15NO3/c1-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3,7H2,1H3/t4-,5-,6+/m1/s1
InChIKeyULVFNIHYRKSRPH-PBXRRBTRSA-N
XLogP-1.56
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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)-2-aminohexane-1,3,4-triol?
The IUPAC name of (2R,3S,4R)-2-aminohexane-1,3,4-triol (CID 89364894) is (2R,3S,4R)-2-aminohexane-1,3,4-triol.
What is the SMILES notation for (2R,3S,4R)-2-aminohexane-1,3,4-triol?
The canonical SMILES for (2R,3S,4R)-2-aminohexane-1,3,4-triol is CC[C@@H](O)[C@@H](O)[C@H](N)CO.
What is the InChIKey of (2R,3S,4R)-2-aminohexane-1,3,4-triol?
The InChIKey is ULVFNIHYRKSRPH-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H15NO3/c1-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3,7H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2R,3S,4R)-2-aminohexane-1,3,4-triol?
(2R,3S,4R)-2-aminohexane-1,3,4-triol has a molecular weight of 149.19 g/mol, XLogP of -1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-aminohexane-1,3,4-triol is sourced from PubChem (CID 89364894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).