[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate

C14H22N4O8 — CID 102499824

IUPAC[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate
SMILESCON(C)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H22N4O8/c1-7(19)23-6-10-12(24-8(2)20)13(25-9(3)21)11(16-17-15)14(26-10)18(4)22-5/h10-14H,6H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyRMZDILWARUNJKH-DHGKCCLASA-N
MW374.35 g/mol
LogP0.31
Rot. Bonds7

About [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate (PubChem CID 102499824) has the molecular formula C14H22N4O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate
PubChem CID102499824
Molecular FormulaC14H22N4O8
Molecular Weight374.35 g/mol
Exact Mass374.14
IUPAC Name[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate
SMILESCON(C)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H22N4O8/c1-7(19)23-6-10-12(24-8(2)20)13(25-9(3)21)11(16-17-15)14(26-10)18(4)22-5/h10-14H,6H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyRMZDILWARUNJKH-DHGKCCLASA-N
XLogP0.31
TPSA149.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl 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,3S,4R,5S,6R)-3,4-diacetyloxy-5-azido-6-iodooxan-2-yl]methyl acetate
CID 13071823
[(2S,3S,4S,5R,6S)-3,4-diacetyloxy-5-azido-6-hydroxyoxan-2-yl]methyl acetate
CID 124747063
[(3R,6S)-3,4-diacetyloxy-5-azido-6-chlorooxan-2-yl]methyl acetate
CID 129141116
[(3R,6R)-3,5,6-triacetyloxy-4-azidooxan-2-yl]methyl acetate
CID 70948130
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-azidooxolan-2-yl]methyl acetate
CID 121222491
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 11039487
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate
CID 2725013
[(3S,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate
CID 59475537
[(2R,3S,4R,5R,6R)-4,6-diacetyloxy-5-azido-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 12821207
[(2R,3S,4R,5S,6S)-3,4-diacetyloxy-5-azido-6-nitrooxyoxan-2-yl]methyl acetate
CID 54550672
[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-azido-5-bromooxan-2-yl]methyl acetate
CID 22212986
[(2S,3S,4S,5R,6R)-3,4-diacetyloxy-6-azido-5-hydroxyoxan-2-yl]methyl acetate
CID 44626127

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate (CID 102499824) is [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate is CON(C)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate?
The InChIKey is RMZDILWARUNJKH-DHGKCCLASA-N. The full InChI is InChI=1S/C14H22N4O8/c1-7(19)23-6-10-12(24-8(2)20)13(25-9(3)21)11(16-17-15)14(26-10)18(4)22-5/h10-14H,6H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate has a molecular weight of 374.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-[methoxy(methyl)amino]oxan-2-yl]methyl acetate is sourced from PubChem (CID 102499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).