(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol

C20H41N3O2 — CID 162487677

IUPAC(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C20H41N3O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,25)19(24)15-22-23-21/h16-19,24-25H,6-15H2,1-5H3/t17-,18-,19?,20?/m1/s1
InChIKeyLQDBIYODQNYXQV-UVHRUJRTSA-N
MW355.57 g/mol
LogP5.85
Rot. Bonds15

About (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol

(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol (PubChem CID 162487677) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol.

Molecular Properties

Compound Name(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol
PubChem CID162487677
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Name(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C20H41N3O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,25)19(24)15-22-23-21/h16-19,24-25H,6-15H2,1-5H3/t17-,18-,19?,20?/m1/s1
InChIKeyLQDBIYODQNYXQV-UVHRUJRTSA-N
XLogP5.85
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol?
The IUPAC name of (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol (CID 162487677) is (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol.
What is the SMILES notation for (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol?
The canonical SMILES for (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(O)C(O)CN=[N+]=[N-].
What is the InChIKey of (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol?
The InChIKey is LQDBIYODQNYXQV-UVHRUJRTSA-N. The full InChI is InChI=1S/C20H41N3O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,25)19(24)15-22-23-21/h16-19,24-25H,6-15H2,1-5H3/t17-,18-,19?,20?/m1/s1.
What are the key properties of (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol?
(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol has a molecular weight of 355.57 g/mol, XLogP of 5.85, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol is sourced from PubChem (CID 162487677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).