(2R,4R)-2-aminooctadecane-1,4-diol

C18H39NO2 — CID 12701356

IUPAC(2R,4R)-2-aminooctadecane-1,4-diol
SMILESCCCCCCCCCCCCCC[C@@H](O)C[C@@H](N)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1
InChIKeyOZGVEPKWZPMSAC-QZTJIDSGSA-N
MW301.52 g/mol
LogP4.15
Rot. Bonds16

About (2R,4R)-2-aminooctadecane-1,4-diol

(2R,4R)-2-aminooctadecane-1,4-diol (PubChem CID 12701356) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is (2R,4R)-2-aminooctadecane-1,4-diol.

Molecular Properties

Compound Name(2R,4R)-2-aminooctadecane-1,4-diol
PubChem CID12701356
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name(2R,4R)-2-aminooctadecane-1,4-diol
SMILESCCCCCCCCCCCCCC[C@@H](O)C[C@@H](N)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1
InChIKeyOZGVEPKWZPMSAC-QZTJIDSGSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminooctadecane-1,4-diol
CID 12701355
(5R,7S)-7-aminoundecan-5-ol
CID 13234597
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
(6S,8S)-heptacosane-6,8-diol
CID 10693038
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(2R,4R)-decane-2,4-diol
CID 16752205
triacontane-1,2-diol
CID 19770548
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-aminooctadecane-1,4-diol?
The IUPAC name of (2R,4R)-2-aminooctadecane-1,4-diol (CID 12701356) is (2R,4R)-2-aminooctadecane-1,4-diol.
What is the SMILES notation for (2R,4R)-2-aminooctadecane-1,4-diol?
The canonical SMILES for (2R,4R)-2-aminooctadecane-1,4-diol is CCCCCCCCCCCCCC[C@@H](O)C[C@@H](N)CO.
What is the InChIKey of (2R,4R)-2-aminooctadecane-1,4-diol?
The InChIKey is OZGVEPKWZPMSAC-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-2-aminooctadecane-1,4-diol?
(2R,4R)-2-aminooctadecane-1,4-diol has a molecular weight of 301.52 g/mol, XLogP of 4.15, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-aminooctadecane-1,4-diol is sourced from PubChem (CID 12701356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).