(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol

C13H27NO5 — CID 70126366

IUPAC(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol
SMILESCCCCCC(N)C[C@]1(O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H27NO5/c1-3-4-5-6-9(14)7-13(18)12(17)11(16)10(15)8(2)19-13/h8-12,15-18H,3-7,14H2,1-2H3/t8-,9?,10+,11+,12-,13-/m0/s1
InChIKeyUMUXGXIWRWHIKI-AHRZCNIPSA-N
MW277.36 g/mol
LogP-0.53
Rot. Bonds6

About (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol

(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol (PubChem CID 70126366) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol
PubChem CID70126366
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol
SMILESCCCCCC(N)C[C@]1(O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H27NO5/c1-3-4-5-6-9(14)7-13(18)12(17)11(16)10(15)8(2)19-13/h8-12,15-18H,3-7,14H2,1-2H3/t8-,9?,10+,11+,12-,13-/m0/s1
InChIKeyUMUXGXIWRWHIKI-AHRZCNIPSA-N
XLogP-0.53
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-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

Related Compounds

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-nonyloxane-2,3,4,5-tetrol
CID 141242190
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
(2R,3R,4S,5S)-2-decyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 57025902
(2S)-2-aminoundecan-1-ol
CID 98129192
2-aminononadecan-1-ol
CID 87201322
tridecan-3-amine
CID 19435959
(4R)-tridecan-4-amine
CID 150614684
[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-methyloctanoate
CID 140550027
icosane-5,10,16-triamine
CID 88870264

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol (CID 70126366) is (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol is CCCCCC(N)C[C@]1(O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol?
The InChIKey is UMUXGXIWRWHIKI-AHRZCNIPSA-N. The full InChI is InChI=1S/C13H27NO5/c1-3-4-5-6-9(14)7-13(18)12(17)11(16)10(15)8(2)19-13/h8-12,15-18H,3-7,14H2,1-2H3/t8-,9?,10+,11+,12-,13-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol?
(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol has a molecular weight of 277.36 g/mol, XLogP of -0.53, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 70126366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).