(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol

C6H15NO5 — CID 22863347

IUPAC(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
SMILESNC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeySDOFMBGMRVAJNF-ZXXMMSQZSA-N
MW181.19 g/mol
LogP-3.62
Rot. Bonds5

About (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol

(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol (PubChem CID 22863347) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
PubChem CID22863347
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
SMILESNC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeySDOFMBGMRVAJNF-ZXXMMSQZSA-N
XLogP-3.62
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500181.19
LogP ≤ 5-3.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol with MolForge

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

Launch Full Analysis

Related Compounds

magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
CID 155375199
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 87972607
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol (CID 22863347) is (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol is NC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol?
The InChIKey is SDOFMBGMRVAJNF-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol?
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol has a molecular weight of 181.19 g/mol, XLogP of -3.62, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 22863347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).