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

C8H14N2O6 — CID 71748681

IUPACN-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@@]1(N)O
InChIInChI=1S/C8H14N2O6/c1-3(12)10-7-6(14)5(13)4(2-11)16-8(7,9)15/h2,4-7,13-15H,9H2,1H3,(H,10,12)/t4-,5-,6+,7-,8+/m1/s1
InChIKeyGABYQQVYZNDRPH-CBQIKETKSA-N
MW234.21 g/mol
LogP-3.58
Rot. Bonds2

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

N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide (PubChem CID 71748681) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide
PubChem CID71748681
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC NameN-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@@]1(N)O
InChIInChI=1S/C8H14N2O6/c1-3(12)10-7-6(14)5(13)4(2-11)16-8(7,9)15/h2,4-7,13-15H,9H2,1H3,(H,10,12)/t4-,5-,6+,7-,8+/m1/s1
InChIKeyGABYQQVYZNDRPH-CBQIKETKSA-N
XLogP-3.58
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-3.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide (CID 71748681) is N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C=O)O[C@@]1(N)O.
What is the InChIKey of N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The InChIKey is GABYQQVYZNDRPH-CBQIKETKSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-3(12)10-7-6(14)5(13)4(2-11)16-8(7,9)15/h2,4-7,13-15H,9H2,1H3,(H,10,12)/t4-,5-,6+,7-,8+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide has a molecular weight of 234.21 g/mol, XLogP of -3.58, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6S)-2-amino-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 71748681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).