[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate

C14H20N4O8 — CID 172765309

IUPAC[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate
SMILESCC(=O)N[C@H]1C(OC(C)=O)O[C@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20N4O8/c1-6(19)17-11-13(24-8(3)21)12(23-7(2)20)10(5-16-18-15)26-14(11)25-9(4)22/h10-14H,5H2,1-4H3,(H,17,19)/t10-,11-,12+,13-,14?/m1/s1
InChIKeyMFRDYZZFQORVJN-RQICVUQASA-N
MW372.33 g/mol
LogP-0.05
Rot. Bonds6

About [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate

[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate (PubChem CID 172765309) has the molecular formula C14H20N4O8 and a molecular weight of 372.33 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate
PubChem CID172765309
Molecular FormulaC14H20N4O8
Molecular Weight372.33 g/mol
Exact Mass372.13
IUPAC Name[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate
SMILESCC(=O)N[C@H]1C(OC(C)=O)O[C@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20N4O8/c1-6(19)17-11-13(24-8(3)21)12(23-7(2)20)10(5-16-18-15)26-14(11)25-9(4)22/h10-14H,5H2,1-4H3,(H,17,19)/t10-,11-,12+,13-,14?/m1/s1
InChIKeyMFRDYZZFQORVJN-RQICVUQASA-N
XLogP-0.05
TPSA165.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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 [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,4R)-4,5-diacetyloxy-2-(azidomethyl)oxolan-3-yl] acetate
CID 54536597
[(3R,4R,5S)-4,5,6-triacetyloxy-2-(azidomethyl)oxan-3-yl] acetate
CID 44544434
[(2R,3R,4S,5S,6S)-4,5,6-triacetyloxy-2-(azidomethyl)oxan-3-yl] acetate
CID 15882823
[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
CID 71311754
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(3S,4R,5S)-4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] acetate
CID 45050049
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295
[5-acetamido-3,4-diacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
CID 85301635
[(3R,4S)-5-acetamido-2-(azidomethyl)-6-hydroxy-3-methyloxan-4-yl] acetate
CID 122493863
[(2R,3R,4S,5R,6R)-3,5-diacetamido-2-(azidomethyl)-6-(4-methoxyphenoxy)oxan-4-yl] acetate
CID 118040299
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(azidomethyl)-6-phosphonooxyoxan-3-yl] acetate
CID 11504450

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate (CID 172765309) is [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate is CC(=O)N[C@H]1C(OC(C)=O)O[C@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate?
The InChIKey is MFRDYZZFQORVJN-RQICVUQASA-N. The full InChI is InChI=1S/C14H20N4O8/c1-6(19)17-11-13(24-8(3)21)12(23-7(2)20)10(5-16-18-15)26-14(11)25-9(4)22/h10-14H,5H2,1-4H3,(H,17,19)/t10-,11-,12+,13-,14?/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate?
[(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate has a molecular weight of 372.33 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-acetamido-4,6-diacetyloxy-2-(azidomethyl)oxan-3-yl] acetate is sourced from PubChem (CID 172765309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).