(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C7H10N2O6 — CID 101417255

IUPAC(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(N1)O[C@@H](CO)[C@H](O)[C@@H]2O
InChIInChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m0/s1
InChIKeyRFZZKBWDDKMWNM-PBGVKQQHSA-N
MW218.16 g/mol
LogP-3.37
Rot. Bonds1

About (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 101417255) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID101417255
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(N1)O[C@@H](CO)[C@H](O)[C@@H]2O
InChIInChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m0/s1
InChIKeyRFZZKBWDDKMWNM-PBGVKQQHSA-N
XLogP-3.37
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-3.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 101417255) is (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@]2(N1)O[C@@H](CO)[C@H](O)[C@@H]2O.
What is the InChIKey of (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RFZZKBWDDKMWNM-PBGVKQQHSA-N. The full InChI is InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m0/s1.
What are the key properties of (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 218.16 g/mol, XLogP of -3.37, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8R,9S)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 101417255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).