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

C8H13NO6 — CID 50904878

IUPACN-[(2R,3R,4R,5R,6S)-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@H]1O
InChIInChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h2,4-8,12-14H,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKeyWRMWPMGWABLVNI-JAJWTYFOSA-N
MW219.19 g/mol
LogP-2.87
Rot. Bonds2

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

N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide (PubChem CID 50904878) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide
PubChem CID50904878
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC NameN-[(2R,3R,4R,5R,6S)-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@H]1O
InChIInChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h2,4-8,12-14H,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKeyWRMWPMGWABLVNI-JAJWTYFOSA-N
XLogP-2.87
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-2.87
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,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide (CID 50904878) is N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6S)-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@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
The InChIKey is WRMWPMGWABLVNI-JAJWTYFOSA-N. The full InChI is InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h2,4-8,12-14H,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide has a molecular weight of 219.19 g/mol, XLogP of -2.87, 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,5R,6S)-6-formyl-2,4,5-trihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 50904878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).