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

C14H16N2O7 — CID 11099368

IUPAC(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@@]2(O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O7/c17-6-8(18)10-9(19)11(20)14(23-10)12(21)16(13(22)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,22)/t8-,9+,10-,11+,14+/m1/s1
InChIKeyIMMACHAXHGOIND-TUYISWAISA-N
MW324.29 g/mol
LogP-2.09
Rot. Bonds3

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

(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 11099368) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID11099368
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@@]2(O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O7/c17-6-8(18)10-9(19)11(20)14(23-10)12(21)16(13(22)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,22)/t8-,9+,10-,11+,14+/m1/s1
InChIKeyIMMACHAXHGOIND-TUYISWAISA-N
XLogP-2.09
TPSA139.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 11099368) is (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@@]2(O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)C(=O)N1c1ccccc1.
What is the InChIKey of (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IMMACHAXHGOIND-TUYISWAISA-N. The full InChI is InChI=1S/C14H16N2O7/c17-6-8(18)10-9(19)11(20)14(23-10)12(21)16(13(22)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,22)/t8-,9+,10-,11+,14+/m1/s1.
What are the key properties of (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 324.29 g/mol, XLogP of -2.09, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 11099368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).