(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine

C18H40N2O5 — CID 175042893

IUPAC(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine
SMILESCCCCCCCCCCCCN.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H27N.C6H13NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-13H2,1H3;2-6,8-11H,1,7H2/t;2-,3-,4-,5-,6?/m.1/s1
InChIKeyOMNRCMFFJDALLZ-PJUWRAJGSA-N
MW364.53 g/mol
LogP0.61
Rot. Bonds11

About (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine (PubChem CID 175042893) has the molecular formula C18H40N2O5 and a molecular weight of 364.53 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine
PubChem CID175042893
Molecular FormulaC18H40N2O5
Molecular Weight364.53 g/mol
Exact Mass364.29
IUPAC Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine
SMILESCCCCCCCCCCCCN.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H27N.C6H13NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-13H2,1H3;2-6,8-11H,1,7H2/t;2-,3-,4-,5-,6?/m.1/s1
InChIKeyOMNRCMFFJDALLZ-PJUWRAJGSA-N
XLogP0.61
TPSA142.19 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 50.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine 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

(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid
CID 134501433
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
CID 158492783

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine?
The IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine (CID 175042893) is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine is CCCCCCCCCCCCN.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine?
The InChIKey is OMNRCMFFJDALLZ-PJUWRAJGSA-N. The full InChI is InChI=1S/C12H27N.C6H13NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-13H2,1H3;2-6,8-11H,1,7H2/t;2-,3-,4-,5-,6?/m.1/s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine?
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine has a molecular weight of 364.53 g/mol, XLogP of 0.61, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine is sourced from PubChem (CID 175042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).