(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium

C8H8NO4WY- — CID 58999736

IUPAC(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium
SMILESO=C1CC2(C=CC(=O)[C@@H](O)[C@H]2O)[N-]1.[W].[Y]
InChIInChI=1S/C8H9NO4.W.Y/c10-4-1-2-8(3-5(11)9-8)7(13)6(4)12;;/h1-2,6-7,12-13H,3H2,(H,9,11);;/p-1/t6-,7-,8?;;/m1../s1
InChIKeyBPQPMKOLDAVGHB-DIKIIXDLSA-M
MW454.90 g/mol
LogP-1.12
Rot. Bonds

About (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium

(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium (PubChem CID 58999736) has the molecular formula C8H8NO4WY- and a molecular weight of 454.90 g/mol. Its IUPAC name is (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium.

Molecular Properties

Compound Name(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium
PubChem CID58999736
Molecular FormulaC8H8NO4WY-
Molecular Weight454.90 g/mol
Exact Mass454.90
IUPAC Name(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium
SMILESO=C1CC2(C=CC(=O)[C@@H](O)[C@H]2O)[N-]1.[W].[Y]
InChIInChI=1S/C8H9NO4.W.Y/c10-4-1-2-8(3-5(11)9-8)7(13)6(4)12;;/h1-2,6-7,12-13H,3H2,(H,9,11);;/p-1/t6-,7-,8?;;/m1../s1
InChIKeyBPQPMKOLDAVGHB-DIKIIXDLSA-M
XLogP-1.12
TPSA88.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium?
The IUPAC name of (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium (CID 58999736) is (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium.
What is the SMILES notation for (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium?
The canonical SMILES for (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium is O=C1CC2(C=CC(=O)[C@@H](O)[C@H]2O)[N-]1.[W].[Y].
What is the InChIKey of (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium?
The InChIKey is BPQPMKOLDAVGHB-DIKIIXDLSA-M. The full InChI is InChI=1S/C8H9NO4.W.Y/c10-4-1-2-8(3-5(11)9-8)7(13)6(4)12;;/h1-2,6-7,12-13H,3H2,(H,9,11);;/p-1/t6-,7-,8?;;/m1../s1.
What are the key properties of (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium?
(5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium has a molecular weight of 454.90 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dihydroxy-1-azanidaspiro[3.5]non-8-ene-2,7-dione;tungsten;yttrium is sourced from PubChem (CID 58999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).