(2S,4S,5S)-5-aminohexane-2,4-diol

C6H15NO2 — CID 88882738

IUPAC(2S,4S,5S)-5-aminohexane-2,4-diol
SMILESC[C@H](O)C[C@H](O)[C@H](C)N
InChIInChI=1S/C6H15NO2/c1-4(8)3-6(9)5(2)7/h4-6,8-9H,3,7H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyDSZMANWONVASJD-ZLUOBGJFSA-N
MW133.19 g/mol
LogP-0.53
Rot. Bonds3

About (2S,4S,5S)-5-aminohexane-2,4-diol

(2S,4S,5S)-5-aminohexane-2,4-diol (PubChem CID 88882738) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2S,4S,5S)-5-aminohexane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5S)-5-aminohexane-2,4-diol
PubChem CID88882738
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2S,4S,5S)-5-aminohexane-2,4-diol
SMILESC[C@H](O)C[C@H](O)[C@H](C)N
InChIInChI=1S/C6H15NO2/c1-4(8)3-6(9)5(2)7/h4-6,8-9H,3,7H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyDSZMANWONVASJD-ZLUOBGJFSA-N
XLogP-0.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
(3R)-heptane-1,3,4,6-tetrol
CID 89087097
6-amino-2,2-difluoroheptane-3,5-diol
CID 123167830
(2R,3S)-3-amino-1-chlorobutan-2-ol
CID 154700575
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
tris(pentane-2,4-diol);ruthenium
CID 5231187
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
3,6-diamino-5-hydroxyheptanoic acid
CID 22042009
decane-2,4,7,9-tetrol
CID 87436016
(2S,3S)-2-aminohexan-3-ol
CID 55285025

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-aminohexane-2,4-diol?
The IUPAC name of (2S,4S,5S)-5-aminohexane-2,4-diol (CID 88882738) is (2S,4S,5S)-5-aminohexane-2,4-diol.
What is the SMILES notation for (2S,4S,5S)-5-aminohexane-2,4-diol?
The canonical SMILES for (2S,4S,5S)-5-aminohexane-2,4-diol is C[C@H](O)C[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,4S,5S)-5-aminohexane-2,4-diol?
The InChIKey is DSZMANWONVASJD-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4(8)3-6(9)5(2)7/h4-6,8-9H,3,7H2,1-2H3/t4-,5-,6-/m0/s1.
What are the key properties of (2S,4S,5S)-5-aminohexane-2,4-diol?
(2S,4S,5S)-5-aminohexane-2,4-diol has a molecular weight of 133.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-aminohexane-2,4-diol is sourced from PubChem (CID 88882738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).