N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide

C8H14N2O5 — CID 117094712

IUPACN-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@H]1N
InChIInChI=1S/C8H14N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h2,4-8,13-14H,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyILMJYNAFZFWMEQ-FMDGEEDCSA-N
MW218.21 g/mol
LogP-2.90
Rot. Bonds2

About N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide (PubChem CID 117094712) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide
PubChem CID117094712
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC NameN-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@H]1N
InChIInChI=1S/C8H14N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h2,4-8,13-14H,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyILMJYNAFZFWMEQ-FMDGEEDCSA-N
XLogP-2.90
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide (CID 117094712) is N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@H]1N.
What is the InChIKey of N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide?
The InChIKey is ILMJYNAFZFWMEQ-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h2,4-8,13-14H,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide has a molecular weight of 218.21 g/mol, XLogP of -2.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 117094712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).