(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane

C18H33N3O3 — CID 59979643

IUPAC(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane
SMILESCCC1O[C@@H](O[C@H]2C(C)OC(C)C(C)[C@H]2C)C(N=[N+]=[N-])[C@@H](C)[C@H]1C
InChIInChI=1S/C18H33N3O3/c1-8-15-10(3)11(4)16(20-21-19)18(23-15)24-17-12(5)9(2)13(6)22-14(17)7/h9-18H,8H2,1-7H3/t9?,10-,11+,12-,13?,14?,15?,16?,17-,18+/m1/s1
InChIKeyIOWWYVOYNBQBNY-YWKNRBLZSA-N
MW339.48 g/mol
LogP4.54
Rot. Bonds4

About (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane

(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane (PubChem CID 59979643) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane
PubChem CID59979643
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane
SMILESCCC1O[C@@H](O[C@H]2C(C)OC(C)C(C)[C@H]2C)C(N=[N+]=[N-])[C@@H](C)[C@H]1C
InChIInChI=1S/C18H33N3O3/c1-8-15-10(3)11(4)16(20-21-19)18(23-15)24-17-12(5)9(2)13(6)22-14(17)7/h9-18H,8H2,1-7H3/t9?,10-,11+,12-,13?,14?,15?,16?,17-,18+/m1/s1
InChIKeyIOWWYVOYNBQBNY-YWKNRBLZSA-N
XLogP4.54
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(2R,3S,5S)-3-azido-2-[(3S,5S,6S)-5-azido-2-(azidomethyl)-6-methoxy-4-methyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxane;chloroethane
CID 123600464
actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 59036297
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
CID 161426107
(3S,5S,6R)-6-[(3S,5S,6S)-5-azido-2-ethyl-6-methoxy-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 118944847
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
[(3S,4S,6R)-5-azido-6-[(3S,4S)-5-benzoyloxy-2,4,6-trimethyloxan-3-yl]oxy-3,4-dimethyloxan-2-yl]methyl benzoate
CID 89457548
[(3R,4S,6S)-6-[(3R,4R,6S)-6-[(2R,3S,6R)-2-(acetyloxymethyl)-6-[(2S,3R,6R)-6-[(3R,4R,6R)-2-(acetyloxymethyl)-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-5-azido-3,4-dimethyloxan-2-yl]methyl acetate
CID 58302095
[(4S,5S)-3-[(2R,5S)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-[(2S)-butan-2-yl]-4,5-dimethyloxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate
CID 90352364
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690
(2S,3R,5R)-2-[(2R,4S,5S)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3-methyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 167566265

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane?
The IUPAC name of (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane (CID 59979643) is (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane.
What is the SMILES notation for (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane?
The canonical SMILES for (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane is CCC1O[C@@H](O[C@H]2C(C)OC(C)C(C)[C@H]2C)C(N=[N+]=[N-])[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane?
The InChIKey is IOWWYVOYNBQBNY-YWKNRBLZSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-8-15-10(3)11(4)16(20-21-19)18(23-15)24-17-12(5)9(2)13(6)22-14(17)7/h9-18H,8H2,1-7H3/t9?,10-,11+,12-,13?,14?,15?,16?,17-,18+/m1/s1.
What are the key properties of (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane?
(3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane has a molecular weight of 339.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2S,4S,5R)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-2,4,5,6-tetramethyloxane is sourced from PubChem (CID 59979643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).