6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid

C15H17NO8 — CID 77499210

IUPAC6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
InChIInChI=1S/C15H17NO8/c17-5-10-11(18)12(19)13(20)15(24-10)23-6-1-2-7-8(14(21)22)4-16-9(7)3-6/h1-4,10-13,15-20H,5H2,(H,21,22)
InChIKeyKVKJZZMEYYZNDI-UHFFFAOYSA-N
MW339.30 g/mol
LogP-0.96
Rot. Bonds4

About 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid

6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid (PubChem CID 77499210) has the molecular formula C15H17NO8 and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid
PubChem CID77499210
Molecular FormulaC15H17NO8
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
InChIInChI=1S/C15H17NO8/c17-5-10-11(18)12(19)13(20)15(24-10)23-6-1-2-7-8(14(21)22)4-16-9(7)3-6/h1-4,10-13,15-20H,5H2,(H,21,22)
InChIKeyKVKJZZMEYYZNDI-UHFFFAOYSA-N
XLogP-0.96
TPSA152.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid 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 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid?
The IUPAC name of 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid (CID 77499210) is 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(OC3OC(CO)C(O)C(O)C3O)ccc12.
What is the InChIKey of 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid?
The InChIKey is KVKJZZMEYYZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO8/c17-5-10-11(18)12(19)13(20)15(24-10)23-6-1-2-7-8(14(21)22)4-16-9(7)3-6/h1-4,10-13,15-20H,5H2,(H,21,22).
What are the key properties of 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid?
6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid has a molecular weight of 339.30 g/mol, XLogP of -0.96, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 77499210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).