(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol

C11H24N4O4 — CID 139298084

IUPAC(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol
SMILESCOCC(O)[C@@H](O)[C@H](O)C(C)CN(C)CCN=[N+]=[N-]
InChIInChI=1S/C11H24N4O4/c1-8(6-15(2)5-4-13-14-12)10(17)11(18)9(16)7-19-3/h8-11,16-18H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1
InChIKeyUKXSMZWHDJPULL-JPPWEJMLSA-N
MW276.34 g/mol
LogP-0.41
Rot. Bonds10

About (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol

(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol (PubChem CID 139298084) has the molecular formula C11H24N4O4 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol
PubChem CID139298084
Molecular FormulaC11H24N4O4
Molecular Weight276.34 g/mol
Exact Mass276.18
IUPAC Name(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol
SMILESCOCC(O)[C@@H](O)[C@H](O)C(C)CN(C)CCN=[N+]=[N-]
InChIInChI=1S/C11H24N4O4/c1-8(6-15(2)5-4-13-14-12)10(17)11(18)9(16)7-19-3/h8-11,16-18H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1
InChIKeyUKXSMZWHDJPULL-JPPWEJMLSA-N
XLogP-0.41
TPSA121.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol with MolForge

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Related Compounds

1-azido-3-methylpentan-2-ol
CID 116691796
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
CID 175892963
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 61452045
N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 162694868
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
N-(2-azidoethyl)-N-methylcarbamothioyl chloride
CID 178136841

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol?
The IUPAC name of (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol (CID 139298084) is (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol.
What is the SMILES notation for (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol?
The canonical SMILES for (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol is COCC(O)[C@@H](O)[C@H](O)C(C)CN(C)CCN=[N+]=[N-].
What is the InChIKey of (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol?
The InChIKey is UKXSMZWHDJPULL-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H24N4O4/c1-8(6-15(2)5-4-13-14-12)10(17)11(18)9(16)7-19-3/h8-11,16-18H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1.
What are the key properties of (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol?
(3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol has a molecular weight of 276.34 g/mol, XLogP of -0.41, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-[2-azidoethyl(methyl)amino]-1-methoxy-5-methylhexane-2,3,4-triol is sourced from PubChem (CID 139298084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).