(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide

C6H11NO6 — CID 173451491

IUPAC(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
SMILESO=C(NO)[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO6/c8-2-1-13-5(6(11)7-12)4(10)3(2)9/h2-5,8-10,12H,1H2,(H,7,11)/t2-,3+,4-,5-/m0/s1
InChIKeyPXIIGLBKTZNSMY-QTBDOELSSA-N
MW193.15 g/mol
LogP-3.03
Rot. Bonds1

About (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide

(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide (PubChem CID 173451491) has the molecular formula C6H11NO6 and a molecular weight of 193.15 g/mol. Its IUPAC name is (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
PubChem CID173451491
Molecular FormulaC6H11NO6
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
SMILESO=C(NO)[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO6/c8-2-1-13-5(6(11)7-12)4(10)3(2)9/h2-5,8-10,12H,1H2,(H,7,11)/t2-,3+,4-,5-/m0/s1
InChIKeyPXIIGLBKTZNSMY-QTBDOELSSA-N
XLogP-3.03
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide (CID 173451491) is (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide is O=C(NO)[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide?
The InChIKey is PXIIGLBKTZNSMY-QTBDOELSSA-N. The full InChI is InChI=1S/C6H11NO6/c8-2-1-13-5(6(11)7-12)4(10)3(2)9/h2-5,8-10,12H,1H2,(H,7,11)/t2-,3+,4-,5-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide?
(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide has a molecular weight of 193.15 g/mol, XLogP of -3.03, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide is sourced from PubChem (CID 173451491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).