2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H14N4O6 — CID 91032840

IUPAC2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES[N-]=[N+]=NCC(=O)N[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-5-7(16)6(15)3(2-13)18-8(5)17/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3?,5-,6-,7?,8-/m1/s1
InChIKeyAFNOHTDETQTADW-BNFGCYOQSA-N
MW262.22 g/mol
LogP-2.79
Rot. Bonds4

About 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91032840) has the molecular formula C8H14N4O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID91032840
Molecular FormulaC8H14N4O6
Molecular Weight262.22 g/mol
Exact Mass262.09
IUPAC Name2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES[N-]=[N+]=NCC(=O)N[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1O
InChIInChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-5-7(16)6(15)3(2-13)18-8(5)17/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3?,5-,6-,7?,8-/m1/s1
InChIKeyAFNOHTDETQTADW-BNFGCYOQSA-N
XLogP-2.79
TPSA168.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-2.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

2-azido-N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101272161
2-azido-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718648
2-sulfanyl-N-[(2S,3R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123446694
2-sulfanyl-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138986916
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
2-fluoro-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102170219
2-fluoro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 12896786
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
2-azido-N-[(2R,4S,5S)-6-ethyl-2-hydroxy-4,5-dimethyloxan-3-yl]acetamide
CID 158768916
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91032840) is 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is [N-]=[N+]=NCC(=O)N[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1O.
What is the InChIKey of 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is AFNOHTDETQTADW-BNFGCYOQSA-N. The full InChI is InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-5-7(16)6(15)3(2-13)18-8(5)17/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3?,5-,6-,7?,8-/m1/s1.
What are the key properties of 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 262.22 g/mol, XLogP of -2.79, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).