3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide

C7H13NO6 — CID 4632554

IUPAC3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
SMILESNC(=O)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)
InChIKeyUKWLGCFJAVEFPE-UHFFFAOYSA-N
MW207.18 g/mol
LogP-3.69
Rot. Bonds2

About 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide

3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide (PubChem CID 4632554) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
PubChem CID4632554
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
SMILESNC(=O)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)
InChIKeyUKWLGCFJAVEFPE-UHFFFAOYSA-N
XLogP-3.69
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-3.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-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 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide?
The IUPAC name of 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide (CID 4632554) is 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide.
What is the SMILES notation for 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide?
The canonical SMILES for 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide is NC(=O)C1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide?
The InChIKey is UKWLGCFJAVEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13).
What are the key properties of 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide?
3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide has a molecular weight of 207.18 g/mol, XLogP of -3.69, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide is sourced from PubChem (CID 4632554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).