(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol

C6H15NO4 — CID 22861300

IUPAC(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CN
InChIInChI=1S/C6H15NO4/c1-3(8)5(10)6(11)4(9)2-7/h3-6,8-11H,2,7H2,1H3/t3-,4-,5-,6-/m0/s1
InChIKeyPKKXIMIVMVHGSA-BXKVDMCESA-N
MW165.19 g/mol
LogP-2.59
Rot. Bonds4

About (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol

(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol (PubChem CID 22861300) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
PubChem CID22861300
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CN
InChIInChI=1S/C6H15NO4/c1-3(8)5(10)6(11)4(9)2-7/h3-6,8-11H,2,7H2,1H3/t3-,4-,5-,6-/m0/s1
InChIKeyPKKXIMIVMVHGSA-BXKVDMCESA-N
XLogP-2.59
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol (CID 22861300) is (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CN.
What is the InChIKey of (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol?
The InChIKey is PKKXIMIVMVHGSA-BXKVDMCESA-N. The full InChI is InChI=1S/C6H15NO4/c1-3(8)5(10)6(11)4(9)2-7/h3-6,8-11H,2,7H2,1H3/t3-,4-,5-,6-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol?
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol has a molecular weight of 165.19 g/mol, XLogP of -2.59, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol is sourced from PubChem (CID 22861300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).