[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate

C12H16F3NO8 — CID 175801145

IUPAC[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
SMILES[2H][C@@]1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C12H16F3NO8/c1-4(17)22-3-6-9(23-5(2)18)8(19)7(10(20)24-6)16-11(21)12(13,14)15/h6-10,19-20H,3H2,1-2H3,(H,16,21)/t6-,7-,8-,9-,10-/m1/s1/i10D
InChIKeyJSICXKAQGKNRAA-CHDAJDDLSA-N
MW360.26 g/mol
LogP-1.39
Rot. Bonds4

About [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate (PubChem CID 175801145) has the molecular formula C12H16F3NO8 and a molecular weight of 360.26 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
PubChem CID175801145
Molecular FormulaC12H16F3NO8
Molecular Weight360.26 g/mol
Exact Mass360.09
IUPAC Name[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
SMILES[2H][C@@]1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C12H16F3NO8/c1-4(17)22-3-6-9(23-5(2)18)8(19)7(10(20)24-6)16-11(21)12(13,14)15/h6-10,19-20H,3H2,1-2H3,(H,16,21)/t6-,7-,8-,9-,10-/m1/s1/i10D
InChIKeyJSICXKAQGKNRAA-CHDAJDDLSA-N
XLogP-1.39
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate with MolForge

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Related Compounds

[3,4-diacetyloxy-6-fluoro-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 4119878
[(3S,4R)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 89000497
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 10623108
[(2R,3S,4R,5R,6S)-3,5-diacetyloxy-6-bromo-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 88773994
[(2S,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 124724036
[(2R,3R,4R,5R,6R)-3,4-diacetyloxy-6-bromo-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 13192071
[3,4-diacetyloxy-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 3968415
[(2R,3S,4R)-3,5-diacetyloxy-4-hydroxyoxolan-2-yl]methyl acetate
CID 141190412
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
(3,4,5,6-tetraacetyloxy-6-deuteriooxan-2-yl)methyl acetate
CID 118797163
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate
CID 10885505
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate (CID 175801145) is [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate is [2H][C@@]1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate?
The InChIKey is JSICXKAQGKNRAA-CHDAJDDLSA-N. The full InChI is InChI=1S/C12H16F3NO8/c1-4(17)22-3-6-9(23-5(2)18)8(19)7(10(20)24-6)16-11(21)12(13,14)15/h6-10,19-20H,3H2,1-2H3,(H,16,21)/t6-,7-,8-,9-,10-/m1/s1/i10D.
What are the key properties of [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate has a molecular weight of 360.26 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-3-acetyloxy-6-deuterio-4,6-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate is sourced from PubChem (CID 175801145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).