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

C6H7N4NaO5 — CID 23662240

IUPACsodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate
SMILESO=C([O-])[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21.[Na+]
InChIInChI=1S/C6H8N4O5.Na/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12;/h1-4,11-13H,(H,14,15);/q;+1/p-1/t1-,2+,3-,4+;/m0./s1
InChIKeyYRDBQCJDTQMQAV-FQQRNOFLSA-M
MW238.14 g/mol
LogP-7.26
Rot. Bonds1

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

sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 23662240) has the molecular formula C6H7N4NaO5 and a molecular weight of 238.14 g/mol. Its IUPAC name is sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namesodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID23662240
Molecular FormulaC6H7N4NaO5
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Namesodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate
SMILESO=C([O-])[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21.[Na+]
InChIInChI=1S/C6H8N4O5.Na/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12;/h1-4,11-13H,(H,14,15);/q;+1/p-1/t1-,2+,3-,4+;/m0./s1
InChIKeyYRDBQCJDTQMQAV-FQQRNOFLSA-M
XLogP-7.26
TPSA144.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 5-7.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate (CID 23662240) is sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate is O=C([O-])[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21.[Na+].
What is the InChIKey of sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is YRDBQCJDTQMQAV-FQQRNOFLSA-M. The full InChI is InChI=1S/C6H8N4O5.Na/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12;/h1-4,11-13H,(H,14,15);/q;+1/p-1/t1-,2+,3-,4+;/m0./s1.
What are the key properties of sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate?
sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 238.14 g/mol, XLogP of -7.26, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (5S,6R,7S,8S)-6,7,8-trihydroxy-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 23662240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).