(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide

C13H16N4O5 — CID 11289797

IUPAC(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide
SMILESCN(C(=O)[C@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H16N4O5/c1-17(7-5-3-2-4-6-7)13(21)11-9(19)8(18)10(20)12(22-11)15-16-14/h2-6,8-12,18-20H,1H3/t8-,9-,10+,11-,12-/m0/s1
InChIKeyUUNGTEDRLJBDMN-SVNGYHJRSA-N
MW308.29 g/mol
LogP-0.23
Rot. Bonds3

About (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide

(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide (PubChem CID 11289797) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide
PubChem CID11289797
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide
SMILESCN(C(=O)[C@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H16N4O5/c1-17(7-5-3-2-4-6-7)13(21)11-9(19)8(18)10(20)12(22-11)15-16-14/h2-6,8-12,18-20H,1H3/t8-,9-,10+,11-,12-/m0/s1
InChIKeyUUNGTEDRLJBDMN-SVNGYHJRSA-N
XLogP-0.23
TPSA138.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide (CID 11289797) is (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide is CN(C(=O)[C@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide?
The InChIKey is UUNGTEDRLJBDMN-SVNGYHJRSA-N. The full InChI is InChI=1S/C13H16N4O5/c1-17(7-5-3-2-4-6-7)13(21)11-9(19)8(18)10(20)12(22-11)15-16-14/h2-6,8-12,18-20H,1H3/t8-,9-,10+,11-,12-/m0/s1.
What are the key properties of (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide?
(2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-6-azido-3,4,5-trihydroxy-N-methyl-N-phenyloxane-2-carboxamide is sourced from PubChem (CID 11289797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).