(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid

C6H8N4O5 — CID 11586740

IUPAC(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21
InChIInChI=1S/C6H8N4O5/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12/h1-4,11-13H,(H,14,15)/t1-,2+,3-,4+/m0/s1
InChIKeyJUOIIKUVZVENLR-NTAGLIMJSA-N
MW216.15 g/mol
LogP-2.93
Rot. Bonds1

About (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid

(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 11586740) has the molecular formula C6H8N4O5 and a molecular weight of 216.15 g/mol. Its IUPAC name is (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID11586740
Molecular FormulaC6H8N4O5
Molecular Weight216.15 g/mol
Exact Mass216.05
IUPAC Name(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21
InChIInChI=1S/C6H8N4O5/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12/h1-4,11-13H,(H,14,15)/t1-,2+,3-,4+/m0/s1
InChIKeyJUOIIKUVZVENLR-NTAGLIMJSA-N
XLogP-2.93
TPSA141.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 5-2.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid (CID 11586740) is (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21.
What is the InChIKey of (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is JUOIIKUVZVENLR-NTAGLIMJSA-N. The full InChI is InChI=1S/C6H8N4O5/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12/h1-4,11-13H,(H,14,15)/t1-,2+,3-,4+/m0/s1.
What are the key properties of (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid?
(5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 216.15 g/mol, XLogP of -2.93, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 11586740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).